1-aminocarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-3-(1-phenylpropan-2-yl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 1-aminocarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-3-(1-phenylpropan-2-yl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 1-carbamoyl-4-methyl-3-(1-methyl-2-phenyl-ethyl)-6-(3-nitrophenyl)-2-oxo-4H-pyrimidine-5-carboxylic acid CAS Name: 1-carbamoyl-4-methyl-6-(3-nitrophenyl)-2-oxo-3-(1-phenylpropan-2-yl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 1-carbamoyl-4-methyl-6-(3-nitrophenyl)-2-oxo-3-(1-phenylpropan-2-yl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 1-carbamoyl-2-keto-4-methyl-3-(1-methyl-2-phenyl-ethyl)-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N(C(=O)N1C(C)CC2=CC=CC=C2)C(=O)N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(=C(N(C(=O)N1C(C)CC2=CC=CC=C2)C(=O)N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H22N4O6/c1-13(11-15-7-4-3-5-8-15)24-14(2)18(20(27)28)19(25(21(23)29)22(24)30)16-9-6-10-17(12-16)26(31)32/h3-10,12-14H,11H2,1-2H3,(H2,23,29)(H,27,28)