ethyl (4Z)-5-bromanyl-4-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanoate

Systemtic Name: ethyl (4Z)-5-bromanyl-4-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanoate Openeye Name: ethyl (4Z)-5-bromo-4-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]pentanoate CAS Name: (4Z)-5-bromo-4-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanoic acid ethyl ester IUPAC Name: ethyl (4Z)-5-bromo-4-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazinylidene]pentanoate Traditional Name: (4Z)-5-bromo-4-[(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)hydrazono]valeric acid ethyl ester Formula: C22H22BrN5O4 MolecularWeight: 500.34518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=NNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CC=C3)CBr

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O4/c1-2-32-21(29)11-8-16(13-23)26-27-20-14-24-22(15-6-4-3-5-7-15)18-12-17(28(30)31)9-10-19(18)25-20/h3-7,9-10,12H,2,8,11,13-14H2,1H3,(H,25,27)/b26-16-