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

Systemtic Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyrimidine-5-carboxylic acid Formula: C13H11N5O4 MolecularWeight: 301.25754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O4/c1-7-10(12(19)20)11(17-13(16-7)15-6-14)8-3-2-4-9(5-8)18(21)22/h2-5,11H,1H3,(H,19,20)(H2,15,16,17)