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

Systemtic Name: 3-oxidanylidenebutyl 4-azanyl-6-(3-bromophenyl)-5-cyano-2-methyl-cyclohexa-1,4-diene-1-carboxylate Openeye Name: 3-oxobutyl 4-amino-6-(3-bromophenyl)-5-cyano-2-methyl-cyclohexa-1,4-diene-1-carboxylate CAS Name: 4-amino-6-(3-bromophenyl)-5-cyano-2-methyl-1-cyclohexa-1,4-dienecarboxylic acid 3-oxobutyl ester IUPAC Name: 3-oxobutyl 4-amino-6-(3-bromophenyl)-5-cyano-2-methylcyclohexa-1,4-diene-1-carboxylate Traditional Name: 4-amino-6-(3-bromophenyl)-5-cyano-2-methyl-cyclohexa-1,4-diene-1-carboxylic acid 3-ketobutyl ester Formula: C19H19BrN2O3 MolecularWeight: 403.26976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3/c1-11-8-16(22)15(10-21)18(13-4-3-5-14(20)9-13)17(11)19(24)25-7-6-12(2)23/h3-5,9,18H,6-8,22H2,1-2H3