[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-13-4-8-16(9-5-13)30(27,28)21(3)11-19(24)29-12-18(23)20-17-10-15(22(25)26)7-6-14(17)2/h4-10H,11-12H2,1-3H3,(H,20,23)