[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate

Systemtic Name: [1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate Openeye Name: [2-(4-bromoanilino)-1-methyl-2-oxo-ethyl] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [1-(4-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromoanilino)-1-oxopropan-2-yl] 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate Traditional Name: 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylic acid [2-(4-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17BrN4O3 MolecularWeight: 417.25658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=C(N(N=C2)C)N3C=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)OC(=O)C2=C(N(N=C2)C)N3C=CC=C3

InChI

InChI=1S/C18H17BrN4O3/c1-12(16(24)21-14-7-5-13(19)6-8-14)26-18(25)15-11-20-22(2)17(15)23-9-3-4-10-23/h3-12H,1-2H3,(H,21,24)