ethyl (4S,5R)-4-(4-chloranyl-3-nitro-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(4-chloranyl-3-nitro-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(4-chloro-3-nitro-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-chloro-3-nitrophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(4-chloro-3-nitrophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-chloro-3-nitro-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H14ClN3O5 MolecularWeight: 339.73106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O5/c1-3-23-13(19)11-7(2)16-14(20)17-12(11)8-4-5-9(15)10(6-8)18(21)22/h4-6,11-12H,2-3H2,1H3,(H2,16,17,20)/t11-,12+/m0/s1