methyl (2R)-6-methoxy-2-morpholin-4-ium-4-yl-8-nitro-2H-chromene-3-carboxylate

Systemtic Name: methyl (2R)-6-methoxy-2-morpholin-4-ium-4-yl-8-nitro-2H-chromene-3-carboxylate Openeye Name: methyl (2R)-6-methoxy-2-morpholin-4-ium-4-yl-8-nitro-2H-chromene-3-carboxylate CAS Name: (2R)-6-methoxy-2-(4-morpholin-4-iumyl)-8-nitro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (2R)-6-methoxy-2-morpholin-4-ium-4-yl-8-nitro-2H-chromene-3-carboxylate Traditional Name: (2R)-6-methoxy-2-morpholin-4-ium-4-yl-8-nitro-2H-chromene-3-carboxylic acid methyl ester Formula: C16H19N2O7+ MolecularWeight: 351.33126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C=C(C(O2)[NH+]3CCOCC3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C2C(=C1)C=C([C@@H](O2)[NH+]3CCOCC3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7/c1-22-11-7-10-8-12(16(19)23-2)15(17-3-5-24-6-4-17)25-14(10)13(9-11)18(20)21/h7-9,15H,3-6H2,1-2H3/p+1/t15-/m1/s1