[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C20H21N3O9S MolecularWeight: 479.46044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O

InChI

InChI=1S/C20H21N3O9S/c1-31-18-10-13(23(27)28)4-6-16(18)21-19(25)12-32-20(26)15-11-14(5-7-17(15)24)33(29,30)22-8-2-3-9-22/h4-7,10-11,24H,2-3,8-9,12H2,1H3,(H,21,25)