ethyl 2-(4-cyanophenyl)-6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 2-(4-cyanophenyl)-6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyridine-3-carboxylate Openeye Name: ethyl 2-(4-cyanophenyl)-6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyridine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-6-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-cyanophenyl)-6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyridine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]nicotinic acid ethyl ester Formula: C22H20N6O4 MolecularWeight: 432.432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N

InChI

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