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

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

CC(=O)N1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O6/c1-13(25)23-18(15-7-9-16(10-8-15)24(28)29)21-11-17(19(23)26)22-20(27)30-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,27)