3-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydroimidazo[1,5-a]pyrimidine-8-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydroimidazo[1,5-a]pyrimidine-8-carboxylic acid Openeye Name: 3-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydroimidazo[1,5-a]pyrimidine-8-carboxylic acid CAS Name: 3-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydroimidazo[1,5-a]pyrimidine-8-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-2-methyl-4-(3-nitrophenyl)-1,4-dihydroimidazo[1,5-a]pyrimidine-8-carboxylic acid Traditional Name: 3-carbethoxy-2-methyl-4-(3-nitrophenyl)-1,4-dihydroimidazo[1,5-a]pyrimidine-8-carboxylic acid Formula: C17H16N4O6 MolecularWeight: 372.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(N=CN2C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(N=CN2C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C17H16N4O6/c1-3-27-17(24)12-9(2)19-15-13(16(22)23)18-8-20(15)14(12)10-5-4-6-11(7-10)21(25)26/h4-8,14,19H,3H2,1-2H3,(H,22,23)