ethyl 2-(4-methylpyrazol-1-yl)-4-[(4-nitrophenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(4-methylpyrazol-1-yl)-4-[(4-nitrophenyl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-(4-methylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylate CAS Name: 2-(4-methyl-1-pyrazolyl)-4-(4-nitroanilino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-methylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylate Traditional Name: 2-(4-methylpyrazol-1-yl)-4-(4-nitroanilino)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N6O4 MolecularWeight: 368.34674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)[N+](=O)[O-])N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)[N+](=O)[O-])N3C=C(C=N3)C

InChI

InChI=1S/C17H16N6O4/c1-3-27-16(24)14-9-18-17(22-10-11(2)8-19-22)21-15(14)20-12-4-6-13(7-5-12)23(25)26/h4-10H,3H2,1-2H3,(H,18,20,21)