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

Systemtic Name: N-[(E)-(4-methyl-3-nitro-phenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-(4-methyl-3-nitro-phenyl)methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-(4-methyl-3-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-(4-methyl-3-nitro-benzylidene)amino]-piperonylamide Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c1-10-2-3-11(6-13(10)19(21)22)8-17-18-16(20)12-4-5-14-15(7-12)24-9-23-14/h2-8H,9H2,1H3,(H,18,20)/b17-8+