6-[(2,5-dimethylcyclohex-2-en-1-yl)methylcarbamoyl]-4-(3-nitrophenyl)-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-[(2,5-dimethylcyclohex-2-en-1-yl)methylcarbamoyl]-4-(3-nitrophenyl)-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-[(2,5-dimethylcyclohex-2-en-1-yl)methylcarbamoyl]-4-(3-nitrophenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-[[(2,5-dimethyl-1-cyclohex-2-enyl)methylamino]-oxomethyl]-4-(3-nitrophenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-[(2,5-dimethylcyclohex-2-en-1-yl)methylcarbamoyl]-4-(3-nitrophenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-[(2,5-dimethylcyclohex-2-en-1-yl)methylcarbamoyl]-2-keto-4-(3-nitrophenyl)-1H-pyrimidine-5-carboxylic acid Formula: C21H22N4O6 MolecularWeight: 426.42258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC=C(C(C1)CNC(=O)C2=C(C(=NC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CC1CC=C(C(C1)CNC(=O)C2=C(C(=NC(=O)N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C21H22N4O6/c1-11-6-7-12(2)14(8-11)10-22-19(26)18-16(20(27)28)17(23-21(29)24-18)13-4-3-5-15(9-13)25(30)31/h3-5,7,9,11,14H,6,8,10H2,1-2H3,(H,22,26)(H,27,28)(H,23,24,29)