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

Systemtic Name: ethyl 4-[[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-2-methoxy-phenyl]-ethyl-amino]butanoate Openeye Name: ethyl 4-[5-acetamido-4-(2,4-dinitrophenyl)azo-N-ethyl-2-methoxy-anilino]butanoate CAS Name: 4-[5-acetamido-4-(2,4-dinitrophenyl)azo-N-ethyl-2-methoxyanilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-acetamido-4-[(2,4-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]butanoate Traditional Name: 4-[5-acetamido-4-(2,4-dinitrophenyl)azo-N-ethyl-2-methoxy-anilino]butyric acid ethyl ester Formula: C23H28N6O8 MolecularWeight: 516.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(=O)OCC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCN(CCCC(=O)OCC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C23H28N6O8/c1-5-27(11-7-8-23(31)37-6-2)21-13-18(24-15(3)30)19(14-22(21)36-4)26-25-17-10-9-16(28(32)33)12-20(17)29(34)35/h9-10,12-14H,5-8,11H2,1-4H3,(H,24,30)