(5S)-3-[(Z)-2-methoxy-1-pyridin-3-yl-prop-1-enyl]-2-nitro-2,5-dihydro-1H-1,4-benzodiazepine-5-carboxylate

Systemtic Name: (5S)-3-[(Z)-2-methoxy-1-pyridin-3-yl-prop-1-enyl]-2-nitro-2,5-dihydro-1H-1,4-benzodiazepine-5-carboxylate Openeye Name: (5S)-3-[(Z)-2-methoxy-1-(3-pyridyl)prop-1-enyl]-2-nitro-2,5-dihydro-1H-1,4-benzodiazepine-5-carboxylate CAS Name: (5S)-3-[(Z)-2-methoxy-1-(3-pyridinyl)prop-1-enyl]-2-nitro-2,5-dihydro-1H-1,4-benzodiazepine-5-carboxylate IUPAC Name: (5S)-3-[(Z)-2-methoxy-1-pyridin-3-ylprop-1-enyl]-2-nitro-2,5-dihydro-1H-1,4-benzodiazepine-5-carboxylate Traditional Name: (5S)-3-[(Z)-2-methoxy-1-(3-pyridyl)prop-1-enyl]-2-nitro-2,5-dihydro-1H-1,4-benzodiazepine-5-carboxylate Formula: C19H17N4O5- MolecularWeight: 381.36208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CN=CC=C1)C2=NC(C3=CC=CC=C3NC2[N+](=O)[O-])C(=O)[O-])OC

Isomeric SMILES

C/C(=C(\C1=CN=CC=C1)/C2=N[C@@H](C3=CC=CC=C3NC2[N+](=O)[O-])C(=O)[O-])/OC

InChI

InChI=1S/C19H18N4O5/c1-11(28-2)15(12-6-5-9-20-10-12)17-18(23(26)27)21-14-8-4-3-7-13(14)16(22-17)19(24)25/h3-10,16,18,21H,1-2H3,(H,24,25)/p-1/b15-11-/t16-,18?/m0/s1