1-(2-hydroxyethyloxymethyl)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione

Systemtic Name: 1-(2-hydroxyethyloxymethyl)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione Openeye Name: 1-(2-hydroxyethoxymethyl)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione CAS Name: 1-(2-hydroxyethoxymethyl)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-[[3-[(4-nitrophenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione Traditional Name: 1-(2-hydroxyethoxymethyl)-5-[3-(4-nitrobenzyl)oxybenzyl]pyrimidine-2,4-quinone Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CN(C(=O)NC3=O)COCCO

Isomeric SMILES

C1=CC(=CC(=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CN(C(=O)NC3=O)COCCO

InChI

InChI=1S/C21H21N3O7/c25-8-9-30-14-23-12-17(20(26)22-21(23)27)10-16-2-1-3-19(11-16)31-13-15-4-6-18(7-5-15)24(28)29/h1-7,11-12,25H,8-10,13-14H2,(H,22,26,27)