[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H21N3O8S/c1-14(19(24)21-16-3-2-4-17(13-16)23(26)27)31-20(25)15-5-7-18(8-6-15)32(28,29)22-9-11-30-12-10-22/h2-8,13-14H,9-12H2,1H3,(H,21,24)