[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-(benzotriazol-1-yl)propanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-(benzotriazol-1-yl)propanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3-(benzotriazol-1-yl)propanoate CAS Name: 3-(1-benzotriazolyl)propanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3-(benzotriazol-1-yl)propanoate Traditional Name: 3-(benzotriazol-1-yl)propionic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O5/c22-16(12-4-3-5-13(10-12)21(24)25)11-26-17(23)8-9-20-15-7-2-1-6-14(15)18-19-20/h1-7,10H,8-9,11H2