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Home> Encyclopedia > Hot Product Listed M   > MOLPORT-001-759-395
959581-58-9 structure

MOLPORT-001-759-395

Iupac Name:4-[(1,3-dioxoinden-2-ylidene)methylamino]benzamide
CAS No.:959581-58-9
Molecular Weight:292.294
Molecular Formula:C17H12N2O3 (isomer)
Names and Identifiers
Synonyms

4-(((1,3-dioxoindan-2-ylidene)methyl)amino)benzamide 4-{[(1,3-dioxo-2,3-dihydro-1h-inden-2-ylidene)methyl]amino}benzamide AKOS005109522 mfcd00245679 MS-7209 ST50951436 ZINC2561930 zx-at022590

Inchi
InChI=1S/C17H12N2O3/c18-17(22)10-5-7-11(8-6-10)19-9-14-15(20)12-3-1-2-4-13(12)16(14)21/h1-9,19H,(H2,18,22)
InChkey
IYBFKLHCFUAVDZ-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C(=CNC3=CC=C(C=C3)C(=O)N)C2=O
Computational chemical data
  • Molecular Weight:292.294g/mol
  • Molecular Formula:C17H12N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:292.085
  • Monoisotopic Mass:292.085
  • Complexity:492
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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