6-nitro-N-pentan-3-yl-1,3-benzodioxole-5-carboxamide

Systemtic Name: 6-nitro-N-pentan-3-yl-1,3-benzodioxole-5-carboxamide Openeye Name: N-(1-ethylpropyl)-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: 6-nitro-N-pentan-3-yl-1,3-benzodioxole-5-carboxamide IUPAC Name: 6-nitro-N-pentan-3-yl-1,3-benzodioxole-5-carboxamide Traditional Name: N-(1-ethylpropyl)-6-nitro-piperonylamide Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCC(CC)NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C13H16N2O5/c1-3-8(4-2)14-13(16)9-5-11-12(20-7-19-11)6-10(9)15(17)18/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)