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

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-[(4-methoxy-3-nitrophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxy-3-nitro-phenyl)sulfonylamino]propionic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H22N2O8S MolecularWeight: 450.46228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O8S/c1-13-4-6-16(14(2)10-13)18(23)12-30-20(24)8-9-21-31(27,28)15-5-7-19(29-3)17(11-15)22(25)26/h4-7,10-11,21H,8-9,12H2,1-3H3