[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate CAS Name: 4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate Traditional Name: 4-(2,6-dimethylmorpholino)sulfonylbenzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O8S/c1-14-12-24(13-15(2)32-14)34(30,31)18-10-8-17(9-11-18)22(27)33-16(3)21(26)23-19-6-4-5-7-20(19)25(28)29/h4-11,14-16H,12-13H2,1-3H3,(H,23,26)