[4-[(E)-[2-(1-methylpyrrol-2-yl)ethanoylhydrazinylidene]methyl]phenyl] 3-bromanyl-1-methyl-pyrazole-4-carboxylate

Systemtic Name: [4-[(E)-[2-(1-methylpyrrol-2-yl)ethanoylhydrazinylidene]methyl]phenyl] 3-bromanyl-1-methyl-pyrazole-4-carboxylate Openeye Name: [4-[(E)-[[2-(1-methylpyrrol-2-yl)acetyl]hydrazono]methyl]phenyl] 3-bromo-1-methyl-pyrazole-4-carboxylate CAS Name: 3-bromo-1-methyl-4-pyrazolecarboxylic acid [4-[(E)-[[2-(1-methyl-2-pyrrolyl)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[[2-(1-methylpyrrol-2-yl)acetyl]hydrazinylidene]methyl]phenyl] 3-bromo-1-methylpyrazole-4-carboxylate Traditional Name: 3-bromo-1-methyl-pyrazole-4-carboxylic acid [4-[(E)-[[2-(1-methylpyrrol-2-yl)acetyl]hydrazono]methyl]phenyl] ester Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CN(N=C3Br)C

Isomeric SMILES

CN1C=CC=C1CC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CN(N=C3Br)C

InChI

InChI=1S/C19H18BrN5O3/c1-24-9-3-4-14(24)10-17(26)22-21-11-13-5-7-15(8-6-13)28-19(27)16-12-25(2)23-18(16)20/h3-9,11-12H,10H2,1-2H3,(H,22,26)/b21-11+