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

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

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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)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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