methyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxidanylidene-pyridine-3-carboxylate

Systemtic Name: methyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxidanylidene-pyridine-3-carboxylate Openeye Name: methyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxo-pyridine-3-carboxylate CAS Name: 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxo-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-6-oxopyridine-3-carboxylate Traditional Name: 6-keto-1-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]nicotinic acid methyl ester Formula: C16H14N2O7 MolecularWeight: 346.29156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C=C1)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C16H14N2O7/c1-23-16(20)10-2-3-14(19)17(6-10)7-11-4-13(18(21)22)5-12-8-24-9-25-15(11)12/h2-6H,7-9H2,1H3