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

Systemtic Name: methyl 3-[[3-acetamido-4-[(2-cyano-4,6-dinitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoate Openeye Name: methyl 3-[3-acetamido-4-(2-cyano-4,6-dinitro-phenyl)azo-N-ethyl-anilino]propanoate CAS Name: 3-[3-acetamido-4-(2-cyano-4,6-dinitrophenyl)azo-N-ethylanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-acetamido-4-[(2-cyano-4,6-dinitrophenyl)diazenyl]-N-ethylanilino]propanoate Traditional Name: 3-[3-acetamido-4-(2-cyano-4,6-dinitro-phenyl)azo-N-ethyl-anilino]propionic acid methyl ester Formula: C21H21N7O7 MolecularWeight: 483.43414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C21H21N7O7/c1-4-26(8-7-20(30)35-3)15-5-6-17(18(10-15)23-13(2)29)24-25-21-14(12-22)9-16(27(31)32)11-19(21)28(33)34/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,29)