[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C20H23N3O10S MolecularWeight: 497.47572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O10S/c1-30-16-7-5-14(11-15(16)23(26)27)34(28,29)21-9-8-20(25)33-12-19(24)22-13-4-6-17(31-2)18(10-13)32-3/h4-7,10-11,21H,8-9,12H2,1-3H3,(H,22,24)