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

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-methanoylbenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C18H14N2O4/c19-10-9-13-3-7-16(8-4-13)20-17(22)12-24-18(23)15-5-1-14(11-21)2-6-15/h1-8,11H,9,12H2,(H,20,22)