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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=CN=CN(C2=O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=CN=CN(C2=O)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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