[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C24H20ClN3O8S MolecularWeight: 545.9489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H20ClN3O8S/c1-35-22-9-7-17(37(33,34)27-11-10-15-4-2-3-5-20(15)27)13-18(22)24(30)36-14-23(29)26-16-6-8-19(25)21(12-16)28(31)32/h2-9,12-13H,10-11,14H2,1H3,(H,26,29)