[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c18-10-9-12-5-7-13(8-6-12)19-16(21)11-25-17(22)14-3-1-2-4-15(14)20(23)24/h1-8H,9,11H2,(H,19,21)