1-[(4-bromophenyl)methyl]-4-nitro-N'-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-nitro-N'-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide Openeye Name: 1-[(4-bromophenyl)methyl]-4-nitro-N'-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide CAS Name: 1-[(4-bromophenyl)methyl]-4-nitro-N'-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-pyrazolecarbohydrazide IUPAC Name: 1-[(4-bromophenyl)methyl]-4-nitro-N'-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide Traditional Name: 1-(4-bromobenzyl)-N'-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]-4-nitro-pyrazole-3-carbohydrazide Formula: C18H13BrN6O6 MolecularWeight: 489.23642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C18H13BrN6O6/c19-13-3-1-11(2-4-13)9-23-10-15(25(30)31)17(22-23)18(27)21-20-8-12-7-14(24(28)29)5-6-16(12)26/h1-8,10,20H,9H2,(H,21,27)