N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-methyl-4-nitro-phenyl)butanediamide

Systemtic Name: N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-methyl-4-nitro-phenyl)butanediamide Openeye Name: N'-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-N-(2-methyl-4-nitro-phenyl)butanediamide CAS Name: N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-methyl-4-nitrophenyl)butanediamide IUPAC Name: N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-N-(2-methyl-4-nitrophenyl)butanediamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-N'-[(E)-piperonylideneamino]succinamide Formula: C19H18N4O6 MolecularWeight: 398.36942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O6/c1-12-8-14(23(26)27)3-4-15(12)21-18(24)6-7-19(25)22-20-10-13-2-5-16-17(9-13)29-11-28-16/h2-5,8-10H,6-7,11H2,1H3,(H,21,24)(H,22,25)/b20-10+