6-methyl-2-nitramido-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 6-methyl-2-nitramido-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C12H11N5O6 MolecularWeight: 321.24564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O6/c1-6-9(11(18)19)10(14-12(13-6)15-17(22)23)7-3-2-4-8(5-7)16(20)21/h2-5,10H,1H3,(H,18,19)(H2,13,14,15)