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

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-(1,2-benzoxazol-3-yl)acetate CAS Name: 2-(1,2-benzoxazol-3-yl)acetic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate Traditional Name: 2-indoxazen-3-ylacetic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c21-16(18-11-5-7-12(8-6-11)20(23)24)10-25-17(22)9-14-13-3-1-2-4-15(13)26-19-14/h1-8H,9-10H2,(H,18,21)