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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-3-pyridylmethyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-3-pyridinylmethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-4-nitro-N-[(E)-pyridin-3-ylmethylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(3-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(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)NN=CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)N/N=C/C3=CN=CC=C3)[N+](=O)[O-]

InChI

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