methyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)methoxy]phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)methoxy]phenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-6-[3-[(4-nitrophenyl)methoxy]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-[3-(4-nitrobenzyl)oxyphenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H21N3O6/c1-13-18(20(25)29-3)19(22-21(26)23(13)2)15-5-4-6-17(11-15)30-12-14-7-9-16(10-8-14)24(27)28/h4-11,19H,12H2,1-3H3,(H,22,26)