[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-hydroxy-2-pyrrolidinecarboxylic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H22ClN3O9S MolecularWeight: 527.93208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2CC(CN2S(=O)(=O)C3=CC=C(C=C3)Cl)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O9S/c1-12-7-17(25(29)30)19(33-2)9-16(12)23-20(27)11-34-21(28)18-8-14(26)10-24(18)35(31,32)15-5-3-13(22)4-6-15/h3-7,9,14,18,26H,8,10-11H2,1-2H3,(H,23,27)