methyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-acetyloxyethyl)amino]propanoate

Systemtic Name: methyl 3-[[5-acetamido-4-[(2-bromanyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-(2-acetyloxyethyl)amino]propanoate Openeye Name: methyl 3-[5-acetamido-N-(2-acetoxyethyl)-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]propanoate CAS Name: 3-[5-acetamido-N-(2-acetyloxyethyl)-4-(2-bromo-4,6-dinitrophenyl)azo-2-methoxyanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[5-acetamido-N-(2-acetyloxyethyl)-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyanilino]propanoate Traditional Name: 3-[5-acetamido-N-(2-acetoxyethyl)-4-(2-bromo-4,6-dinitro-phenyl)azo-2-methoxy-anilino]propionic acid methyl ester Formula: C23H25BrN6O10 MolecularWeight: 625.3828

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC(=O)OC)CCOC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC(=O)OC)CCOC(=O)C

InChI

InChI=1S/C23H25BrN6O10/c1-13(31)25-17-11-19(28(6-5-22(33)39-4)7-8-40-14(2)32)21(38-3)12-18(17)26-27-23-16(24)9-15(29(34)35)10-20(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)