(phenylmethyl) N-[2-(3,5-dinitrophenyl)-1-ethanoyl-6-oxidanylidene-pyrimidin-5-yl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(3,5-dinitrophenyl)-1-ethanoyl-6-oxidanylidene-pyrimidin-5-yl]carbamate Openeye Name: benzyl N-[1-acetyl-2-(3,5-dinitrophenyl)-6-oxo-pyrimidin-5-yl]carbamate CAS Name: N-[1-acetyl-2-(3,5-dinitrophenyl)-6-oxo-5-pyrimidinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-acetyl-2-(3,5-dinitrophenyl)-6-oxopyrimidin-5-yl]carbamate Traditional Name: N-[1-acetyl-2-(3,5-dinitrophenyl)-6-keto-pyrimidin-5-yl]carbamic acid benzyl ester Formula: C20H15N5O8 MolecularWeight: 453.3618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O8/c1-12(26)23-18(14-7-15(24(29)30)9-16(8-14)25(31)32)21-10-17(19(23)27)22-20(28)33-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,22,28)