ethyl 6-(diethoxymethyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(diethoxymethyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(diethoxymethyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-(diethoxymethyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(diethoxymethyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-(diethoxymethyl)-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C(N=C(N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)OCC

Isomeric SMILES

CCOC(C1=C(C(N=C(N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC)OCC

InChI

InChI=1S/C24H27N3O6/c1-4-31-23(28)19-20(17-13-10-14-18(15-17)27(29)30)25-22(16-11-8-7-9-12-16)26-21(19)24(32-5-2)33-6-3/h7-15,20,24H,4-6H2,1-3H3,(H,25,26)