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

Systemtic Name: ethyl 1-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate CAS Name: 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methyl-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C23H23BrN2O3 MolecularWeight: 455.34432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CC(=O)NC3=CC(=C(C=C3)Br)C)C

InChI

InChI=1S/C23H23BrN2O3/c1-4-29-23(28)19-13-21(17-8-6-5-7-9-17)26(16(19)3)14-22(27)25-18-10-11-20(24)15(2)12-18/h5-13H,4,14H2,1-3H3,(H,25,27)