ethyl 6-(4-aminophenyl)-4-[3,5-bis(bromanyl)-4-methoxy-phenyl]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 6-(4-aminophenyl)-4-[3,5-bis(bromanyl)-4-methoxy-phenyl]-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 6-(4-aminophenyl)-4-(3,5-dibromo-4-methoxy-phenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 6-(4-aminophenyl)-4-(3,5-dibromo-4-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-aminophenyl)-4-(3,5-dibromo-4-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 6-(4-aminophenyl)-4-(3,5-dibromo-4-methoxy-phenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C22H21Br2NO4 MolecularWeight: 523.21444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=C(C(=C2)Br)OC)Br)C3=CC=C(C=C3)N

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=C(C(=C2)Br)OC)Br)C3=CC=C(C=C3)N

InChI

InChI=1S/C22H21Br2NO4/c1-3-29-22(27)20-16(12-4-6-15(25)7-5-12)8-13(11-19(20)26)14-9-17(23)21(28-2)18(24)10-14/h4-7,9-11,16,20H,3,8,25H2,1-2H3