ethyl 2-azanyl-3-cyano-5-(4-methylphenyl)carbonyl-4-oxidanyl-benzoate

Systemtic Name: ethyl 2-azanyl-3-cyano-5-(4-methylphenyl)carbonyl-4-oxidanyl-benzoate Openeye Name: ethyl 2-amino-3-cyano-4-hydroxy-5-(4-methylbenzoyl)benzoate CAS Name: 2-amino-3-cyano-4-hydroxy-5-[(4-methylphenyl)-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-cyano-4-hydroxy-5-(4-methylbenzoyl)benzoate Traditional Name: 2-amino-3-cyano-4-hydroxy-5-p-toluoyl-benzoic acid ethyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1N)C#N)O)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1N)C#N)O)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H16N2O4/c1-3-24-18(23)12-8-13(17(22)14(9-19)15(12)20)16(21)11-6-4-10(2)5-7-11/h4-8,22H,3,20H2,1-2H3