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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-bromophenyl)methylideneamino]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-bromophenyl)methyleneamino]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-bromophenyl)methylideneamino]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-(4-bromophenyl)methylideneamino]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-(4-bromobenzylidene)amino]-4-nitro-pyrazole-3-carboxamide Formula: C18H13Br2N5O3 MolecularWeight: 507.13552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Br2N5O3/c19-14-5-1-12(2-6-14)9-21-22-18(26)17-16(25(27)28)11-24(23-17)10-13-3-7-15(20)8-4-13/h1-9,11H,10H2,(H,22,26)/b21-9+