ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-6-(3-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-methyl-4-(4-morpholin-4-iumylmethyl)-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-2-keto-3-methyl-4-(morpholin-4-ium-4-ylmethyl)-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N4O6+ MolecularWeight: 405.425

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C)C[NH+]3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O6/c1-3-29-18(24)16-15(12-22-7-9-28-10-8-22)21(2)19(25)20-17(16)13-5-4-6-14(11-13)23(26)27/h4-6,11,17H,3,7-10,12H2,1-2H3,(H,20,25)/p+1/t17-/m1/s1