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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c19-10-9-13-5-7-15(8-6-13)20-17(22)12-26-18(23)11-14-3-1-2-4-16(14)21(24)25/h1-8H,9,11-12H2,(H,20,22)