(phenylmethyl) 6-methyl-4-(5-nitrofuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-methyl-4-(5-nitrofuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-methyl-4-(5-nitro-2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-(5-nitro-2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-methyl-4-(5-nitrofuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-(5-nitro-2-furyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(O2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O6/c1-10-14(16(21)25-9-11-5-3-2-4-6-11)15(19-17(22)18-10)12-7-8-13(26-12)20(23)24/h2-8,15H,9H2,1H3,(H2,18,19,22)