3-oxidanylidenebutyl 4-azanyl-5-cyano-6-(4-fluorophenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: 3-oxidanylidenebutyl 4-azanyl-5-cyano-6-(4-fluorophenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-oxobutyl 4-amino-5-cyano-6-(4-fluorophenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylate CAS Name: 4-amino-5-cyano-6-(4-fluorophenyl)-2-methyl-1-cyclohexa-1,4-dienecarboxylic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 4-amino-5-cyano-6-(4-fluorophenyl)-2-methylcyclohexa-1,4-diene-1-carboxylate Traditional Name: 4-amino-5-cyano-6-(4-fluorophenyl)-2-methyl-cyclohexa-1,4-diene-1-carboxylic acid 3-ketobutyl ester Formula: C19H19FN2O3 MolecularWeight: 342.364163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(C1)N)C#N)C2=CC=C(C=C2)F)C(=O)OCCC(=O)C

Isomeric SMILES

CC1=C(C(C(=C(C1)N)C#N)C2=CC=C(C=C2)F)C(=O)OCCC(=O)C

InChI

InChI=1S/C19H19FN2O3/c1-11-9-16(22)15(10-21)18(13-3-5-14(20)6-4-13)17(11)19(24)25-8-7-12(2)23/h3-6,18H,7-9,22H2,1-2H3