ethyl 4-(4-cyanophenyl)-2-[2-[(4-nitrophenyl)amino]ethylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2-[2-[(4-nitrophenyl)amino]ethylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2-[2-(4-nitroanilino)ethylamino]pyrimidine-5-carboxylate CAS Name: 4-(4-cyanophenyl)-2-[2-(4-nitroanilino)ethylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2-[2-(4-nitroanilino)ethylamino]pyrimidine-5-carboxylate Traditional Name: 4-(4-cyanophenyl)-2-[2-(4-nitroanilino)ethylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1C2=CC=C(C=C2)C#N)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4/c1-2-32-21(29)19-14-26-22(27-20(19)16-5-3-15(13-23)4-6-16)25-12-11-24-17-7-9-18(10-8-17)28(30)31/h3-10,14,24H,2,11-12H2,1H3,(H,25,26,27)