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

Systemtic Name: ethyl 4-(1-ethylpyrazol-4-yl)-6-[(4-nitropyrazol-1-yl)methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1-ethylpyrazol-4-yl)-6-[(4-nitropyrazol-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1-ethyl-4-pyrazolyl)-6-[(4-nitro-1-pyrazolyl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-ethylpyrazol-4-yl)-6-[(4-nitropyrazol-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1-ethylpyrazol-4-yl)-2-keto-6-[(4-nitropyrazol-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N7O5 MolecularWeight: 389.36596

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2C(=C(NC(=O)N2)CN3C=C(C=N3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C2C(=C(NC(=O)N2)CN3C=C(C=N3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C16H19N7O5/c1-3-21-7-10(5-17-21)14-13(15(24)28-4-2)12(19-16(25)20-14)9-22-8-11(6-18-22)23(26)27/h5-8,14H,3-4,9H2,1-2H3,(H2,19,20,25)