methyl 2-[[5-acetamido-4-[(2-bromanyl-6-cyano-4-nitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate

Systemtic Name: methyl 2-[[5-acetamido-4-[(2-bromanyl-6-cyano-4-nitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-methoxy-2-oxidanylidene-ethyl)amino]ethanoate Openeye Name: methyl 2-[5-acetamido-4-(2-bromo-6-cyano-4-nitro-phenyl)azo-2-methoxy-N-(2-methoxy-2-oxo-ethyl)anilino]acetate CAS Name: 2-[5-acetamido-4-(2-bromo-6-cyano-4-nitrophenyl)azo-2-methoxy-N-(2-methoxy-2-oxoethyl)anilino]acetic acid methyl ester IUPAC Name: methyl 2-[5-acetamido-4-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-2-methoxy-N-(2-methoxy-2-oxoethyl)anilino]acetate Traditional Name: 2-[5-acetamido-4-(2-bromo-6-cyano-4-nitro-phenyl)azo-N-(2-keto-2-methoxy-ethyl)-2-methoxy-anilino]acetic acid methyl ester Formula: C22H21BrN6O8 MolecularWeight: 577.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Br)OC)N(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])Br)OC)N(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C22H21BrN6O8/c1-12(30)25-16-7-18(28(10-20(31)36-3)11-21(32)37-4)19(35-2)8-17(16)26-27-22-13(9-24)5-14(29(33)34)6-15(22)23/h5-8H,10-11H2,1-4H3,(H,25,30)