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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(3-nitrophenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(3-nitrophenyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(3-nitrophenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(3-nitrophenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-4-nitro-N-[(E)-(3-nitrobenzylidene)amino]pyrazole-3-carboxamide Formula: C18H13BrN6O5 MolecularWeight: 473.23702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrN6O5/c19-14-6-4-12(5-7-14)10-23-11-16(25(29)30)17(22-23)18(26)21-20-9-13-2-1-3-15(8-13)24(27)28/h1-9,11H,10H2,(H,21,26)/b20-9+