[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6S/c18-15(21)10-27-14-8-4-2-6-12(14)19-16(22)9-26-17(23)11-5-1-3-7-13(11)20(24)25/h1-8H,9-10H2,(H2,18,21)(H,19,22)