(4-nitrophenyl)methyl 4-(cyanomethyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-(cyanomethyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(cyanomethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-2-carboxylate CAS Name: 4-(cyanomethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(cyanomethyl)-6-oxo-4,5-dihydro-1H-pyrimidine-2-carboxylate Traditional Name: 4-(cyanomethyl)-6-keto-4,5-dihydro-1H-pyrimidine-2-carboxylic acid (4-nitrobenzyl) ester Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(NC1=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC#N

Isomeric SMILES

C1C(N=C(NC1=O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC#N

InChI

InChI=1S/C14H12N4O5/c15-6-5-10-7-12(19)17-13(16-10)14(20)23-8-9-1-3-11(4-2-9)18(21)22/h1-4,10H,5,7-8H2,(H,16,17,19)