(2-cyano-5-methanoyl-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (2-cyano-5-methanoyl-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (2-cyano-5-formyl-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (2-cyano-5-formylphenyl) ester IUPAC Name: (2-cyano-5-formylphenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (2-cyano-5-formyl-phenyl) ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=O)C#N

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=O)C#N

InChI

InChI=1S/C19H16N2O4/c1-12(2)18(23)21-16-7-5-14(6-8-16)19(24)25-17-9-13(11-22)3-4-15(17)10-20/h3-9,11-12H,1-2H3,(H,21,23)