N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-[(4-bromophenyl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-bromophenyl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(4-bromobenzyl)-4-nitro-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C19H14BrN5O5 MolecularWeight: 472.24896

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=NNC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=NN(C=C3[N+](=O)[O-])CC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H14BrN5O5/c20-14-4-1-12(2-5-14)9-24-10-15(25(27)28)18(23-24)19(26)22-21-8-13-3-6-16-17(7-13)30-11-29-16/h1-8,10H,9,11H2,(H,22,26)/b21-8+