2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3-carboxylic acid

Systemtic Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3-carboxylic acid Openeye Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3-carboxylic acid CAS Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3-carboxylic acid IUPAC Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3-carboxylic acid Traditional Name: 2-(cyanoamino)-6-methyl-4-(3-nitrophenyl)-4H-pyrimidine-3-carboxylic acid Formula: C13H11N5O4 MolecularWeight: 301.25754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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