ethyl 6-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H17N5O5 MolecularWeight: 323.30458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H17N5O5/c1-4-23-12(19)9-5-14-13(20)15-10(9)6-17-8(3)11(18(21)22)7(2)16-17/h4-6H2,1-3H3,(H2,14,15,20)