1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-3-pyridylmethyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-3-pyridinylmethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-4-nitro-N-[(E)-3-pyridylmethyleneamino]pyrazole-3-carboxamide Formula: C17H13BrN6O3 MolecularWeight: 429.22752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN6O3/c18-14-5-3-12(4-6-14)10-23-11-15(24(26)27)16(22-23)17(25)21-20-9-13-2-1-7-19-8-13/h1-9,11H,10H2,(H,21,25)/b20-9+