methyl (2S)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromene-3-carboxylate

Systemtic Name: methyl (2S)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromene-3-carboxylate Openeye Name: methyl (2S)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromene-3-carboxylate CAS Name: (2S)-2-(4-morpholin-4-iumyl)-6-nitro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2S)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromene-3-carboxylate Traditional Name: (2S)-2-morpholin-4-ium-4-yl-6-nitro-2H-chromene-3-carboxylic acid methyl ester Formula: C15H17N2O6+ MolecularWeight: 321.30528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])O[C@@H]1[NH+]3CCOCC3

InChI

InChI=1S/C15H16N2O6/c1-21-15(18)12-9-10-8-11(17(19)20)2-3-13(10)23-14(12)16-4-6-22-7-5-16/h2-3,8-9,14H,4-7H2,1H3/p+1/t14-/m0/s1