[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C18H18ClN3O7S MolecularWeight: 455.86942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClN3O7S/c1-12(18(24)21-14-5-7-15(8-6-14)22(25)26)29-17(23)9-10-20-30(27,28)16-4-2-3-13(19)11-16/h2-8,11-12,20H,9-10H2,1H3,(H,21,24)