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

Systemtic Name: methyl 3-[[3-acetamido-4-[(2-cyano-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]propanoate Openeye Name: methyl 3-[3-acetamido-4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]propanoate CAS Name: 3-[3-acetamido-4-(2-cyano-4-nitrophenyl)azo-N-ethylanilino]propanoic acid methyl ester IUPAC Name: methyl 3-[3-acetamido-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoate Traditional Name: 3-[3-acetamido-4-(2-cyano-4-nitro-phenyl)azo-N-ethyl-anilino]propionic acid methyl ester Formula: C21H22N6O5 MolecularWeight: 438.43658

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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=C2)[N+](=O)[O-])C#N)NC(=O)C

Isomeric SMILES

CCN(CCC(=O)OC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)NC(=O)C

InChI

InChI=1S/C21H22N6O5/c1-4-26(10-9-21(29)32-3)16-5-8-19(20(12-16)23-14(2)28)25-24-18-7-6-17(27(30)31)11-15(18)13-22/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,28)