1-[(3-bromophenyl)methyl]-N-[(E)-(4-methylphenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-methylphenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-p-tolylmethyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-methylphenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-methylphenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-(4-methylbenzylidene)amino]-4-nitro-pyrazole-3-carboxamide Formula: C19H16BrN5O3 MolecularWeight: 442.26604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=NNC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)/C=N/NC(=O)C2=NN(C=C2[N+](=O)[O-])CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H16BrN5O3/c1-13-5-7-14(8-6-13)10-21-22-19(26)18-17(25(27)28)12-24(23-18)11-15-3-2-4-16(20)9-15/h2-10,12H,11H2,1H3,(H,22,26)/b21-10+