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

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(phenylmethylidene)amino]pyrazole-3-carboxamide Openeye Name: N-[(E)-benzylideneamino]-1-[(4-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-4-nitro-N-[(E)-(phenylmethylene)amino]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-benzylideneamino]-1-[(4-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: N-[(E)-benzalamino]-1-(4-bromobenzyl)-4-nitro-pyrazole-3-carboxamide Formula: C18H14BrN5O3 MolecularWeight: 428.23946

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN5O3/c19-15-8-6-14(7-9-15)11-23-12-16(24(26)27)17(22-23)18(25)21-20-10-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,25)/b20-10+