3-(2-methoxy-1-nitro-2-pyridin-4-yl-ethenyl)-2-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid

Systemtic Name: 3-(2-methoxy-1-nitro-2-pyridin-4-yl-ethenyl)-2-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid Openeye Name: 3-[2-methoxy-1-nitro-2-(4-pyridyl)vinyl]-2-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid CAS Name: 3-(2-methoxy-1-nitro-2-pyridin-4-ylethenyl)-2-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid IUPAC Name: 3-(2-methoxy-1-nitro-2-pyridin-4-ylethenyl)-2-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid Traditional Name: 3-[2-methoxy-1-nitro-2-(4-pyridyl)vinyl]-2-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(C2=CC=CC=C2N1)C(=O)O)C(=C(C3=CC=NC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(C2=CC=CC=C2N1)C(=O)O)C(=C(C3=CC=NC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-11-15(17(23(26)27)18(28-2)12-7-9-20-10-8-12)22-16(19(24)25)13-5-3-4-6-14(13)21-11/h3-10,16,21-22H,1-2H3,(H,24,25)