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

Systemtic Name: 2-nitrooxyethyl 2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethanoate Openeye Name: 2-nitrooxyethyl 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-nitrooxyethyl ester IUPAC Name: 2-nitrooxyethyl 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-nitrooxyethyl ester Formula: C20H20N6O5 MolecularWeight: 424.41

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCC(=O)OCCO[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)NCC(=O)OCCO[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C20H20N6O5/c1-14-4-5-16(23-13-19(27)30-9-10-31-26(28)29)11-18(14)25-20-22-8-6-17(24-20)15-3-2-7-21-12-15/h2-8,11-12,23H,9-10,13H2,1H3,(H,22,24,25)