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

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-morpholin-4-ylsulfonyl-2-oxidanyl-benzoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-hydroxy-5-morpholinosulfonyl-benzoate CAS Name: 2-hydroxy-5-(4-morpholinylsulfonyl)benzoic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-morpholinosulfonyl-benzoic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C20H21N3O10S MolecularWeight: 495.45984

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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)N3CCOCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)O

InChI

InChI=1S/C20H21N3O10S/c1-31-18-10-13(23(27)28)2-4-16(18)21-19(25)12-33-20(26)15-11-14(3-5-17(15)24)34(29,30)22-6-8-32-9-7-22/h2-5,10-11,24H,6-9,12H2,1H3,(H,21,25)