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

Systemtic Name: 2-(2-methoxy-2-nitro-1-pyridin-3-yl-ethenyl)-3-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid Openeye Name: 2-[2-methoxy-2-nitro-1-(3-pyridyl)vinyl]-3-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid CAS Name: 2-[2-methoxy-2-nitro-1-(3-pyridinyl)ethenyl]-3-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid IUPAC Name: 2-(2-methoxy-2-nitro-1-pyridin-3-ylethenyl)-3-methyl-4,5-dihydro-1H-1,4-benzodiazepine-5-carboxylic acid Traditional Name: 2-[2-methoxy-2-nitro-1-(3-pyridyl)vinyl]-3-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(NC2=CC=CC=C2C(N1)C(=O)O)C(=C([N+](=O)[O-])OC)C3=CN=CC=C3

Isomeric SMILES

CC1=C(NC2=CC=CC=C2C(N1)C(=O)O)C(=C([N+](=O)[O-])OC)C3=CN=CC=C3

InChI

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