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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromanyl-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-bromo-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-bromo-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-(4-nitrobenzyl)-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=C3Br)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN5O5/c20-15-10-24(9-12-1-4-14(5-2-12)25(27)28)23-18(15)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+