2-(7-methanoyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid

Systemtic Name: 2-(7-methanoyl-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid Openeye Name: 2-(7-formyl-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid CAS Name: 2-(7-formyl-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid IUPAC Name: 2-(7-formyl-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Traditional Name: 2-(7-formyl-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C=O)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C=O)NC(C1=O)CC(=O)O

InChI

InChI=1S/C13H14N2O4/c1-15-6-9-4-8(7-16)2-3-10(9)14-11(13(15)19)5-12(17)18/h2-4,7,11,14H,5-6H2,1H3,(H,17,18)