tert-butyl (4S)-2-(4-chloranyl-3-nitro-phenyl)-6-oxidanylidene-1,3-diazinane-4-carboxylate

Systemtic Name: tert-butyl (4S)-2-(4-chloranyl-3-nitro-phenyl)-6-oxidanylidene-1,3-diazinane-4-carboxylate Openeye Name: tert-butyl (4S)-2-(4-chloro-3-nitro-phenyl)-6-oxo-hexahydropyrimidine-4-carboxylate CAS Name: (4S)-2-(4-chloro-3-nitrophenyl)-6-oxo-1,3-diazinane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S)-2-(4-chloro-3-nitrophenyl)-6-oxo-1,3-diazinane-4-carboxylate Traditional Name: (4S)-2-(4-chloro-3-nitro-phenyl)-6-keto-hexahydropyrimidine-4-carboxylic acid tert-butyl ester Formula: C15H18ClN3O5 MolecularWeight: 355.77352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(=O)NC(N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CC(=O)NC(N1)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H18ClN3O5/c1-15(2,3)24-14(21)10-7-12(20)18-13(17-10)8-4-5-9(16)11(6-8)19(22)23/h4-6,10,13,17H,7H2,1-3H3,(H,18,20)/t10-,13?/m0/s1