methyl 4-[(4-bromophenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-[(4-bromophenyl)amino]-3-butanoyl-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-(4-bromoanilino)-3-butanoyl-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-bromoanilino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromoanilino)-3-butanoyl-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-bromoanilino)-3-butyryl-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C20H24BrNO4 MolecularWeight: 422.31286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCCC(=O)C1=C(CC(C(C1=O)C(=O)OC)(C)C)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C20H24BrNO4/c1-5-6-15(23)16-14(22-13-9-7-12(21)8-10-13)11-20(2,3)17(18(16)24)19(25)26-4/h7-10,17,22H,5-6,11H2,1-4H3