[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C20H21N3O6S/c1-13-8-9-14(23(27)28)10-16(13)21-18(24)11-29-20(26)15-6-4-5-7-17(15)30-12-19(25)22(2)3/h4-10H,11-12H2,1-3H3,(H,21,24)