(1-methylpiperidin-1-ium-4-yl) 6-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 6-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 6-nitro-2-oxo-chromene-3-carboxylate CAS Name: 6-nitro-2-oxo-1-benzopyran-3-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 6-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-nitro-chromene-3-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C16H17N2O6+ MolecularWeight: 333.31598

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H16N2O6/c1-17-6-4-12(5-7-17)23-15(19)13-9-10-8-11(18(21)22)2-3-14(10)24-16(13)20/h2-3,8-9,12H,4-7H2,1H3/p+1