2-nitrooxybutyl 2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethanoate

Systemtic Name: 2-nitrooxybutyl 2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethanoate Openeye Name: 2-nitrooxybutyl 2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]acetate CAS Name: 2-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]anilino]acetic acid 2-nitrooxybutyl ester IUPAC Name: 2-nitrooxybutyl 2-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]acetate Traditional Name: 2-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]anilino]acetic acid 2-nitrooxybutyl ester Formula: C22H24N6O5 MolecularWeight: 452.46316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CNC1=CC(=C(C=C1)C)NC2=NC=CC(=N2)C3=CN=CC=C3)O[N+](=O)[O-]

Isomeric SMILES

CCC(COC(=O)CNC1=CC(=C(C=C1)C)NC2=NC=CC(=N2)C3=CN=CC=C3)O[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O5/c1-3-18(33-28(30)31)14-32-21(29)13-25-17-7-6-15(2)20(11-17)27-22-24-10-8-19(26-22)16-5-4-9-23-12-16/h4-12,18,25H,3,13-14H2,1-2H3,(H,24,26,27)