N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-methyl-3-nitro-benzamide Openeye Name: N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-4-methyl-3-nitro-benzamide CAS Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-methyl-3-nitrobenzamide Traditional Name: 4-methyl-3-nitro-N-[(E)-piperonylideneamino]benzamide Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NN=CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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