(1-methylpiperidin-1-ium-4-yl) 8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 8-methoxy-6-nitro-2-oxidanylidene-chromene-3-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 8-methoxy-6-nitro-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-6-nitro-2-oxo-1-benzopyran-3-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 8-methoxy-6-nitro-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-6-nitro-chromene-3-carboxylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C17H19N2O7+ MolecularWeight: 363.34196

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O7/c1-18-5-3-12(4-6-18)25-16(20)13-8-10-7-11(19(22)23)9-14(24-2)15(10)26-17(13)21/h7-9,12H,3-6H2,1-2H3/p+1