2-methoxy-4-methyl-6-(3-nitrophenyl)-3-[(phenylmethyl)carbamoyl]-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-[(phenylmethyl)carbamoyl]-4H-pyrimidine-5-carboxylic acid Openeye Name: 3-(benzylcarbamoyl)-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid CAS Name: 2-methoxy-4-methyl-6-(3-nitrophenyl)-3-[oxo-[(phenylmethyl)amino]methyl]-4H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(benzylcarbamoyl)-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Traditional Name: 3-(benzylcarbamoyl)-2-methoxy-4-methyl-6-(3-nitrophenyl)-4H-pyrimidine-5-carboxylic acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N=C(N1C(=O)NCC2=CC=CC=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C(=C(N=C(N1C(=O)NCC2=CC=CC=C2)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H20N4O6/c1-13-17(19(26)27)18(15-9-6-10-16(11-15)25(29)30)23-21(31-2)24(13)20(28)22-12-14-7-4-3-5-8-14/h3-11,13H,12H2,1-2H3,(H,22,28)(H,26,27)