2-[2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidin-5-yl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidin-5-yl]pyridine-3-carboxylic acid Openeye Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidin-5-yl]pyridine-3-carboxylic acid CAS Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidin-5-yl]-3-pyridinecarboxylic acid IUPAC Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidin-5-yl]pyridine-3-carboxylic acid Traditional Name: 2-[2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyrimidin-5-yl]nicotinic acid Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=CC=N3)C(=O)O

Isomeric SMILES

CC1=C(C(N=C(N1)C)C2=CC(=CC=C2)[N+](=O)[O-])C3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C18H16N4O4/c1-10-15(17-14(18(23)24)7-4-8-19-17)16(21-11(2)20-10)12-5-3-6-13(9-12)22(25)26/h3-9,16H,1-2H3,(H,20,21)(H,23,24)