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

Systemtic Name: methyl 3-[[5-acetamido-4-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]-2-methoxy-phenyl]-ethyl-amino]propanoate Openeye Name: methyl 3-[5-acetamido-4-(2-chloro-4,6-dinitro-phenyl)azo-N-ethyl-2-methoxy-anilino]propanoate CAS Name: 3-[5-acetamido-4-(2-chloro-4,6-dinitrophenyl)azo-N-ethyl-2-methoxyanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N-ethyl-2-methoxyanilino]propanoate Traditional Name: 3-[5-acetamido-4-(2-chloro-4,6-dinitro-phenyl)azo-N-ethyl-2-methoxy-anilino]propionic acid methyl ester Formula: C21H23ClN6O8 MolecularWeight: 522.89572

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC

Isomeric SMILES

CCN(CCC(=O)OC)C1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC

InChI

InChI=1S/C21H23ClN6O8/c1-5-26(7-6-20(30)36-4)17-10-15(23-12(2)29)16(11-19(17)35-3)24-25-21-14(22)8-13(27(31)32)9-18(21)28(33)34/h8-11H,5-7H2,1-4H3,(H,23,29)