methyl (2Z)-2-[(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]propanoate

Systemtic Name: methyl (2Z)-2-[(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]propanoate Openeye Name: methyl (2Z)-2-[[7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]propanoate CAS Name: (2Z)-2-[[7-nitro-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]hydrazinylidene]propanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]propanoate Traditional Name: (2Z)-2-[[7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]hydrazono]propionic acid methyl ester Formula: C18H16N6O4 MolecularWeight: 380.35744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=N3)C(=O)OC

Isomeric SMILES

C/C(=N/NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=N3)/C(=O)OC

InChI

InChI=1S/C18H16N6O4/c1-11(18(25)28-2)22-23-16-10-20-17(15-5-3-4-8-19-15)13-9-12(24(26)27)6-7-14(13)21-16/h3-9H,10H2,1-2H3,(H,21,23)/b22-11-