methyl 4-[[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-phenyl]-(4-methoxy-4-oxidanylidene-butyl)amino]butanoate

Systemtic Name: methyl 4-[[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-phenyl]-(4-methoxy-4-oxidanylidene-butyl)amino]butanoate Openeye Name: methyl 4-[5-acetamido-4-(2,4-dinitrophenyl)azo-2-methoxy-N-(4-methoxy-4-oxo-butyl)anilino]butanoate CAS Name: 4-[5-acetamido-4-(2,4-dinitrophenyl)azo-2-methoxy-N-(4-methoxy-4-oxobutyl)anilino]butanoic acid methyl ester IUPAC Name: methyl 4-[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-N-(4-methoxy-4-oxobutyl)anilino]butanoate Traditional Name: 4-[5-acetamido-4-(2,4-dinitrophenyl)azo-N-(4-keto-4-methoxy-butyl)-2-methoxy-anilino]butyric acid methyl ester Formula: C25H30N6O10 MolecularWeight: 574.5399

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCCC(=O)OC)CCCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCCC(=O)OC)CCCC(=O)OC

InChI

InChI=1S/C25H30N6O10/c1-16(32)26-19-14-22(29(11-5-7-24(33)40-3)12-6-8-25(34)41-4)23(39-2)15-20(19)28-27-18-10-9-17(30(35)36)13-21(18)31(37)38/h9-10,13-15H,5-8,11-12H2,1-4H3,(H,26,32)