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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)NN=CC3=CC=NC=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)C(=O)N/N=C/C3=CC=NC=C3)[N+](=O)[O-])Br

InChI

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