[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c21-15(18-11-5-7-12(8-6-11)20(23)24)9-25-16(22)10-27-17-19-13-3-1-2-4-14(13)26-17/h1-8H,9-10H2,(H,18,21)