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

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-(4-nitrobenzyl)-N-[(E)-piperonylideneamino]pyrazole-3-carboxamide Formula: C19H15N5O5 MolecularWeight: 393.3529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O5/c25-19(21-20-10-14-3-6-17-18(9-14)29-12-28-17)16-7-8-23(22-16)11-13-1-4-15(5-2-13)24(26)27/h1-10H,11-12H2,(H,21,25)/b20-10+