methyl 4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(2-dimethylaminoethyl)-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN(C)CCC1=NC(=NC(=C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-25(2)13-12-18-19(22(27)30-3)20(16-10-7-11-17(14-16)26(28)29)24-21(23-18)15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3