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

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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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)NC3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

InChI

InChI=1S/C21H21N3O6S/c1-13-6-9-15(24(28)29)10-17(13)23-19(25)11-30-21(27)16-4-2-3-5-18(16)31-12-20(26)22-14-7-8-14/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,22,26)(H,23,25)