1-[(4-bromophenyl)methyl]-N-[(E)-(2-fluorophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-fluorophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-fluorophenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-fluorophenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(2-fluorophenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(2-fluorobenzylidene)amino]-4-nitro-pyrazole-3-carboxamide Formula: C18H13BrFN5O3 MolecularWeight: 446.229923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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