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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(3-chlorophenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(3-chlorobenzylidene)amino]-4-nitro-pyrazole-3-carboxamide Formula: C18H13BrClN5O3 MolecularWeight: 462.68452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrClN5O3/c19-14-6-4-12(5-7-14)10-24-11-16(25(27)28)17(23-24)18(26)22-21-9-13-2-1-3-15(20)8-13/h1-9,11H,10H2,(H,22,26)/b21-9+