2-[4-cyano-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]phenyl]pyrimidine-5-carboxylate

Systemtic Name: 2-[4-cyano-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]phenyl]pyrimidine-5-carboxylate Openeye Name: 2-[4-cyano-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]phenyl]pyrimidine-5-carboxylate CAS Name: 2-[4-cyano-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]phenyl]-5-pyrimidinecarboxylate IUPAC Name: 2-[4-cyano-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]phenyl]pyrimidine-5-carboxylate Traditional Name: 2-[4-cyano-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]phenyl]pyrimidine-5-carboxylate Formula: C19H14N7O4- MolecularWeight: 404.35896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=NC=C(C=N3)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=NC=C(C=N3)C(=O)[O-]

InChI

InChI=1S/C19H15N7O4/c20-8-12-1-3-15(18-24-9-13(10-25-18)19(27)28)16(7-12)21-5-6-22-17-4-2-14(11-23-17)26(29)30/h1-4,7,9-11,21H,5-6H2,(H,22,23)(H,27,28)/p-1