[3-[(E)-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]methyl]phenyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [3-[(E)-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]methyl]phenyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [3-[(E)-[(4-chloro-3-nitro-benzoyl)hydrazono]methyl]phenyl] 4-bromo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-methyl-3-pyrazolecarboxylic acid [3-[(E)-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 4-bromo-1-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-methyl-pyrazole-3-carboxylic acid [3-[(E)-[(4-chloro-3-nitro-benzoyl)hydrazono]methyl]phenyl] ester Formula: C19H13BrClN5O5 MolecularWeight: 506.69402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OC2=CC=CC(=C2)C=NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C19H13BrClN5O5/c1-25-10-14(20)17(24-25)19(28)31-13-4-2-3-11(7-13)9-22-23-18(27)12-5-6-15(21)16(8-12)26(29)30/h2-10H,1H3,(H,23,27)/b22-9+