[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)OCC(=O)NC2=CC=CC=C2SCC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c19-16(22)11-28-15-8-4-2-6-13(15)20-17(23)10-27-18(24)9-12-5-1-3-7-14(12)21(25)26/h1-8H,9-11H2,(H2,19,22)(H,20,23)