(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C14H10N2O7 MolecularWeight: 318.2384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H10N2O7/c1-7-4-11(12(16(19)20)13(17)15-7)23-14(18)8-2-3-9-10(5-8)22-6-21-9/h2-5H,6H2,1H3,(H,15,17)