ethyl 6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-(4-methoxyphenoxy)-3-nitrophenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-methoxyphenoxy)-3-nitrophenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-6-[4-(4-methoxyphenoxy)-3-nitro-phenyl]-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)OC3=CC=C(C=C3)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=C(C=C2)OC3=CC=C(C=C3)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H23N3O7/c1-5-31-21(26)19-13(2)24(3)22(27)23-20(19)14-6-11-18(17(12-14)25(28)29)32-16-9-7-15(30-4)8-10-16/h6-12,20H,5H2,1-4H3,(H,23,27)