[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C18H17N3O6S/c1-11(17(23)20-13-7-3-4-8-14(13)21(25)26)27-18(24)12-6-2-5-9-15(12)28-10-16(19)22/h2-9,11H,10H2,1H3,(H2,19,22)(H,20,23)