N-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-[4-(methylamino)-3-nitro-phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-[4-(methylamino)-3-nitro-phenyl]methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-[4-(methylamino)-3-nitro-benzylidene]amino]-piperonylamide Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5/c1-17-12-4-2-10(6-13(12)20(22)23)8-18-19-16(21)11-3-5-14-15(7-11)25-9-24-14/h2-8,17H,9H2,1H3,(H,19,21)/b18-8+