[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)C=O

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C18H14N2O4/c1-12(17(22)20-16-4-2-3-14(9-16)10-19)24-18(23)15-7-5-13(11-21)6-8-15/h2-9,11-12H,1H3,(H,20,22)