methyl (3R)-3-morpholin-4-ium-4-yl-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl (3R)-3-morpholin-4-ium-4-yl-4-[(2-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3R)-3-morpholin-4-ium-4-yl-4-(2-nitroanilino)-4-oxo-butanoate CAS Name: (3R)-3-(4-morpholin-4-iumyl)-4-(2-nitroanilino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3R)-3-morpholin-4-ium-4-yl-4-(2-nitroanilino)-4-oxobutanoate Traditional Name: (3R)-4-keto-3-morpholin-4-ium-4-yl-4-(2-nitroanilino)butyric acid methyl ester Formula: C15H20N3O6+ MolecularWeight: 338.3358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCOCC2

Isomeric SMILES

COC(=O)C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+]2CCOCC2

InChI

InChI=1S/C15H19N3O6/c1-23-14(19)10-13(17-6-8-24-9-7-17)15(20)16-11-4-2-3-5-12(11)18(21)22/h2-5,13H,6-10H2,1H3,(H,16,20)/p+1/t13-/m1/s1