ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-[(4-bromo-3-methyl-phenyl)carbamoyl]-1,3,5-trimethyl-pyrrole-2-carboxylate CAS Name: 4-[(4-bromo-3-methylanilino)-oxomethyl]-1,3,5-trimethyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-3-methylphenyl)carbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate Traditional Name: 4-[(4-bromo-3-methyl-phenyl)carbamoyl]-1,3,5-trimethyl-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC2=CC(=C(C=C2)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1C)C)C(=O)NC2=CC(=C(C=C2)Br)C)C

InChI

InChI=1S/C18H21BrN2O3/c1-6-24-18(23)16-11(3)15(12(4)21(16)5)17(22)20-13-7-8-14(19)10(2)9-13/h7-9H,6H2,1-5H3,(H,20,22)