N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]benzylidene]amino]-piperonylamide Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6/c1-29-17-4-2-13(6-15(17)10-24-11-16(9-22-24)25(27)28)8-21-23-20(26)14-3-5-18-19(7-14)31-12-30-18/h2-9,11H,10,12H2,1H3,(H,23,26)/b21-8+