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

Systemtic Name: 10-nitrooxydecyl 2-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]amino]ethanoate Openeye Name: 10-nitrooxydecyl 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 10-nitrooxydecyl ester IUPAC Name: 10-nitrooxydecyl 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 10-nitrooxydecyl ester Formula: C28H36N6O5 MolecularWeight: 536.62264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N6O5/c1-22-12-13-24(19-26(22)33-28-30-16-14-25(32-28)23-11-10-15-29-20-23)31-21-27(35)38-17-8-6-4-2-3-5-7-9-18-39-34(36)37/h10-16,19-20,31H,2-9,17-18,21H2,1H3,(H,30,32,33)