(phenylmethyl) N-[2-(4-nitrophenyl)-6-oxidanylidene-1-(2-oxidanylideneethyl)pyrimidin-5-yl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(4-nitrophenyl)-6-oxidanylidene-1-(2-oxidanylideneethyl)pyrimidin-5-yl]carbamate Openeye Name: benzyl N-[2-(4-nitrophenyl)-6-oxo-1-(2-oxoethyl)pyrimidin-5-yl]carbamate CAS Name: N-[2-(4-nitrophenyl)-6-oxo-1-(2-oxoethyl)-5-pyrimidinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(4-nitrophenyl)-6-oxo-1-(2-oxoethyl)pyrimidin-5-yl]carbamate Traditional Name: N-[6-keto-1-(2-ketoethyl)-2-(4-nitrophenyl)pyrimidin-5-yl]carbamic acid benzyl ester Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=C(N(C2=O)CC=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O6/c25-11-10-23-18(15-6-8-16(9-7-15)24(28)29)21-12-17(19(23)26)22-20(27)30-13-14-4-2-1-3-5-14/h1-9,11-12H,10,13H2,(H,22,27)