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

Systemtic Name: (phenylmethyl) N-[1-(2,2-dimethoxyethyl)-2-(4-nitrophenyl)-6-oxidanylidene-pyrimidin-5-yl]carbamate Openeye Name: benzyl N-[1-(2,2-dimethoxyethyl)-2-(4-nitrophenyl)-6-oxo-pyrimidin-5-yl]carbamate CAS Name: N-[1-(2,2-dimethoxyethyl)-2-(4-nitrophenyl)-6-oxo-5-pyrimidinyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2,2-dimethoxyethyl)-2-(4-nitrophenyl)-6-oxopyrimidin-5-yl]carbamate Traditional Name: N-[1-(2,2-dimethoxyethyl)-6-keto-2-(4-nitrophenyl)pyrimidin-5-yl]carbamic acid benzyl ester Formula: C22H22N4O7 MolecularWeight: 454.43268

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC(CN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O7/c1-31-19(32-2)13-25-20(16-8-10-17(11-9-16)26(29)30)23-12-18(21(25)27)24-22(28)33-14-15-6-4-3-5-7-15/h3-12,19H,13-14H2,1-2H3,(H,24,28)