1-[(3-bromophenyl)methyl]-4-nitro-N'-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-nitro-N'-[(6-oxidanylidene-5-prop-2-enyl-cyclohexa-2,4-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide Openeye Name: N'-[(5-allyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-1-[(3-bromophenyl)methyl]-4-nitro-pyrazole-3-carbohydrazide CAS Name: 1-[(3-bromophenyl)methyl]-4-nitro-N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-3-pyrazolecarbohydrazide IUPAC Name: 1-[(3-bromophenyl)methyl]-4-nitro-N'-[(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]pyrazole-3-carbohydrazide Traditional Name: N'-[(5-allyl-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-1-(3-bromobenzyl)-4-nitro-pyrazole-3-carbohydrazide Formula: C21H18BrN5O4 MolecularWeight: 484.30272

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC(=CNNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br)C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br)C1=O

InChI

InChI=1S/C21H18BrN5O4/c1-2-5-15-7-4-8-16(20(15)28)11-23-24-21(29)19-18(27(30)31)13-26(25-19)12-14-6-3-9-17(22)10-14/h2-4,6-11,13,23H,1,5,12H2,(H,24,29)