2-methoxy-4-methyl-6-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-(3-phenylpropyl)-4H-pyrimidine-5-carboxylic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N=C(N1CCCC2=CC=CC=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(=C(N=C(N1CCCC2=CC=CC=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C22H23N3O5/c1-15-19(21(26)27)20(17-11-6-12-18(14-17)25(28)29)23-22(30-2)24(15)13-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,14-15H,7,10,13H2,1-2H3,(H,26,27)