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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c19-10-9-13-5-7-14(8-6-13)20-17(22)11-27-18(23)12-26-16-4-2-1-3-15(16)21(24)25/h1-8H,9,11-12H2,(H,20,22)