ethyl 4-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[3-[(4-bromanyl-3-methyl-phenyl)amino]-3-oxidanylidene-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[3-(4-bromo-3-methyl-anilino)-3-oxo-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-(4-bromo-3-methyl-anilino)-3-keto-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H23BrN2O3 MolecularWeight: 407.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=CC(=C(C=C2)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=CC(=C(C=C2)Br)C)C

InChI

InChI=1S/C19H23BrN2O3/c1-5-25-19(24)18-12(3)15(13(4)21-18)7-9-17(23)22-14-6-8-16(20)11(2)10-14/h6,8,10,21H,5,7,9H2,1-4H3,(H,22,23)