[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-])OC

InChI

InChI=1S/C18H18N2O7S/c1-25-13-7-12(8-14(9-13)26-2)19-17(21)10-27-18(22)11-4-5-16(28-3)15(6-11)20(23)24/h4-9H,10H2,1-3H3,(H,19,21)