N-[2-[methyl-[(3-nitrophenyl)methyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[methyl-[(3-nitrophenyl)methyl]amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[methyl-[(3-nitrophenyl)methyl]amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[methyl-[(3-nitrophenyl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[methyl-[(3-nitrophenyl)methyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[methyl-(3-nitrobenzyl)amino]ethyl]-piperonylamide Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17N3O6/c1-20(10-12-3-2-4-14(7-12)21(24)25)17(22)9-19-18(23)13-5-6-15-16(8-13)27-11-26-15/h2-8H,9-11H2,1H3,(H,19,23)