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

Systemtic Name: 4-bromanyl-1-[(4-nitrophenyl)methyl]-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]-4-bromo-1-[(4-nitrophenyl)methyl]pyrazole-3-carbohydrazide CAS Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N'-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methyl]-3-pyrazolecarbohydrazide IUPAC Name: 4-bromo-1-[(4-nitrophenyl)methyl]-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]-4-bromo-1-(4-nitrobenzyl)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=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-])C1=O

Isomeric SMILES

C=CCC1=CC=CC(=CNNC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-])C1=O

InChI

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