2-[[2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-3-nitro-pyridin-4-yl]amino]butan-1-ol

Systemtic Name: 2-[[2-(4-chloranyl-2,6-dimethyl-phenoxy)-6-methyl-3-nitro-pyridin-4-yl]amino]butan-1-ol Openeye Name: 2-[[2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-3-nitro-4-pyridyl]amino]butan-1-ol CAS Name: 2-[[2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-3-nitro-4-pyridinyl]amino]-1-butanol IUPAC Name: 2-[[2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-3-nitropyridin-4-yl]amino]butan-1-ol Traditional Name: 2-[[2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-3-nitro-4-pyridyl]amino]butan-1-ol Formula: C18H22ClN3O4 MolecularWeight: 379.83798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=CC(=NC(=C1[N+](=O)[O-])OC2=C(C=C(C=C2C)Cl)C)C

Isomeric SMILES

CCC(CO)NC1=CC(=NC(=C1[N+](=O)[O-])OC2=C(C=C(C=C2C)Cl)C)C

InChI

InChI=1S/C18H22ClN3O4/c1-5-14(9-23)21-15-8-12(4)20-18(16(15)22(24)25)26-17-10(2)6-13(19)7-11(17)3/h6-8,14,23H,5,9H2,1-4H3,(H,20,21)