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

Systemtic Name: (2-methylcyclopentyl) 6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (2-methylcyclopentyl) 4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (2-methylcyclopentyl) ester IUPAC Name: (2-methylcyclopentyl) 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (2-methylcyclopentyl) ester Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC1OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)[N+](=O)[O-])C

Isomeric SMILES

CC1CCCC1OC(=O)C2=C(NC(=O)NC2C3=CC(=C(C=C3)O)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O6/c1-9-4-3-5-14(9)27-17(23)15-10(2)19-18(24)20-16(15)11-6-7-13(22)12(8-11)21(25)26/h6-9,14,16,22H,3-5H2,1-2H3,(H2,19,20,24)