[2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(1-methyl-2-oxidanylidene-3H-indol-5-yl)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(1-methyl-2-oxo-indolin-5-yl)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-methyl-2-oxo-3H-indol-5-yl)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-(2-keto-1-methyl-indolin-5-yl)ethyl] ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)CC2=C1C=CC(=C2)C(=O)COC(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6S/c1-20-14-5-3-11(7-13(14)9-18(20)23)16(22)10-27-19(24)12-4-6-17(28-2)15(8-12)21(25)26/h3-8H,9-10H2,1-2H3