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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN5O4/c1-3-32-22(29)14(2)19(12-23)26-27-20-13-24-21(15-7-5-4-6-8-15)17-11-16(28(30)31)9-10-18(17)25-20/h4-11,14H,3,12-13H2,1-2H3,(H,25,27)/b26-19+