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

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-fluorophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-fluorophenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-fluorophenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(E)-(4-fluorophenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-[(E)-(4-fluorobenzylidene)amino]-4-nitro-pyrazole-3-carboxamide Formula: C18H13BrFN5O3 MolecularWeight: 446.229923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C=C(C(=N2)C(=O)NN=CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrFN5O3/c19-14-3-1-2-13(8-14)10-24-11-16(25(27)28)17(23-24)18(26)22-21-9-12-4-6-15(20)7-5-12/h1-9,11H,10H2,(H,22,26)/b21-9+