ethyl (4S)-4-(4-chloranyl-3-nitro-phenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-chloranyl-3-nitro-phenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chloro-3-nitro-phenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chloro-3-nitrophenyl)-6-(4-morpholin-4-iumylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chloro-3-nitrophenyl)-6-(morpholin-4-ium-4-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chloro-3-nitro-phenyl)-2-keto-6-(morpholin-4-ium-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22ClN4O6+ MolecularWeight: 425.84348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O6/c1-2-29-17(24)15-13(10-22-5-7-28-8-6-22)20-18(25)21-16(15)11-3-4-12(19)14(9-11)23(26)27/h3-4,9,16H,2,5-8,10H2,1H3,(H2,20,21,25)/p+1/t16-/m0/s1