[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H23N3O8S/c1-14-6-7-16(12-19(14)33(29,30)23-8-10-31-11-9-23)21(26)32-15(2)20(25)22-17-4-3-5-18(13-17)24(27)28/h3-7,12-13,15H,8-11H2,1-2H3,(H,22,25)