1-[(3-bromophenyl)methyl]-4-nitro-N'-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-nitro-N'-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide Openeye Name: 1-[(3-bromophenyl)methyl]-N'-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-4-nitro-pyrazole-3-carbohydrazide CAS Name: 1-[(3-bromophenyl)methyl]-N'-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4-nitro-3-pyrazolecarbohydrazide IUPAC Name: 1-[(3-bromophenyl)methyl]-N'-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4-nitropyrazole-3-carbohydrazide Traditional Name: 1-(3-bromobenzyl)-N'-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-4-nitro-pyrazole-3-carbohydrazide Formula: C18H14BrN5O5 MolecularWeight: 460.23826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)NNC=C3C=CC(=O)C=C3O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)NNC=C3C=CC(=O)C=C3O)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN5O5/c19-13-3-1-2-11(6-13)9-23-10-15(24(28)29)17(22-23)18(27)21-20-8-12-4-5-14(25)7-16(12)26/h1-8,10,20,26H,9H2,(H,21,27)