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

Systemtic Name: (phenylmethyl) N-[2-[2-(3,5-dinitrophenyl)-1,1-diethoxy-ethyl]-6-oxidanylidene-1H-pyrimidin-5-yl]carbamate Openeye Name: benzyl N-[2-[2-(3,5-dinitrophenyl)-1,1-diethoxy-ethyl]-6-oxo-1H-pyrimidin-5-yl]carbamate CAS Name: N-[2-[2-(3,5-dinitrophenyl)-1,1-diethoxyethyl]-6-oxo-1H-pyrimidin-5-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-[2-(3,5-dinitrophenyl)-1,1-diethoxyethyl]-6-oxo-1H-pyrimidin-5-yl]carbamate Traditional Name: N-[2-[2-(3,5-dinitrophenyl)-1,1-diethoxy-ethyl]-6-keto-1H-pyrimidin-5-yl]carbamic acid benzyl ester Formula: C24H25N5O9 MolecularWeight: 527.4834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])(C2=NC=C(C(=O)N2)NC(=O)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC(CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])(C2=NC=C(C(=O)N2)NC(=O)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C24H25N5O9/c1-3-37-24(38-4-2,13-17-10-18(28(32)33)12-19(11-17)29(34)35)22-25-14-20(21(30)27-22)26-23(31)36-15-16-8-6-5-7-9-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,26,31)(H,25,27,30)