ethyl 5-[[(2-bromophenyl)carbonylamino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[(2-bromophenyl)carbonylamino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[(2-bromobenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[(2-bromophenyl)-oxomethyl]hydrazo]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2-bromobenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[(2-bromobenzoyl)amino]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H18BrN3O4 MolecularWeight: 408.24652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NNC(=O)C2=CC=CC=C2Br)C

InChI

InChI=1S/C17H18BrN3O4/c1-4-25-17(24)13-9(2)14(19-10(13)3)16(23)21-20-15(22)11-7-5-6-8-12(11)18/h5-8,19H,4H2,1-3H3,(H,20,22)(H,21,23)