cycloheptyl (4S)-6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: cycloheptyl (4S)-6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: cycloheptyl (4S)-4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester IUPAC Name: cycloheptyl (4S)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid cycloheptyl ester Formula: C19H23N3O6 MolecularWeight: 389.40242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OC3CCCCCC3

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)OC3CCCCCC3

InChI

InChI=1S/C19H23N3O6/c1-11-16(18(24)28-13-6-4-2-3-5-7-13)17(21-19(25)20-11)12-8-9-15(23)14(10-12)22(26)27/h8-10,13,17,23H,2-7H2,1H3,(H2,20,21,25)/t17-/m0/s1