[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18N4O8S MolecularWeight: 462.43322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H18N4O8S/c1-30-15-3-5-16(6-4-15)32(28,29)21-9-8-19(25)31-12-18(24)22-17-7-2-14(23(26)27)10-13(17)11-20/h2-7,10,21H,8-9,12H2,1H3,(H,22,24)