2-[5-cyano-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-1,4-dihydropyrimidin-3-yl]ethanoic acid Openeye Name: 2-[5-cyano-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidin-3-yl]acetic acid CAS Name: 2-[5-cyano-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidin-3-yl]acetic acid IUPAC Name: 2-[5-cyano-6-methyl-4-(3-nitrophenyl)-2-oxo-1,4-dihydropyrimidin-3-yl]acetic acid Traditional Name: 2-[5-cyano-2-keto-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidin-3-yl]acetic acid Formula: C14H12N4O5 MolecularWeight: 316.26888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O5/c1-8-11(6-15)13(17(7-12(19)20)14(21)16-8)9-3-2-4-10(5-9)18(22)23/h2-5,13H,7H2,1H3,(H,16,21)(H,19,20)