4-[2-chloranyl-4-(dimethylamino)-5-fluoranyl-phenyl]-N-(1-methoxybutan-2-yl)-3-nitro-pyridin-2-amine

Systemtic Name: 4-[2-chloranyl-4-(dimethylamino)-5-fluoranyl-phenyl]-N-(1-methoxybutan-2-yl)-3-nitro-pyridin-2-amine Openeye Name: 4-[2-chloro-4-(dimethylamino)-5-fluoro-phenyl]-N-[1-(methoxymethyl)propyl]-3-nitro-pyridin-2-amine CAS Name: 4-[2-chloro-4-(dimethylamino)-5-fluorophenyl]-N-(1-methoxybutan-2-yl)-3-nitro-2-pyridinamine IUPAC Name: 4-[2-chloro-4-(dimethylamino)-5-fluorophenyl]-N-(1-methoxybutan-2-yl)-3-nitropyridin-2-amine Traditional Name: [5-chloro-2-fluoro-4-[2-[1-(methoxymethyl)propylamino]-3-nitro-4-pyridyl]phenyl]-dimethyl-amine Formula: C18H22ClFN4O3 MolecularWeight: 396.843683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)NC1=NC=CC(=C1[N+](=O)[O-])C2=CC(=C(C=C2Cl)N(C)C)F

Isomeric SMILES

CCC(COC)NC1=NC=CC(=C1[N+](=O)[O-])C2=CC(=C(C=C2Cl)N(C)C)F

InChI

InChI=1S/C18H22ClFN4O3/c1-5-11(10-27-4)22-18-17(24(25)26)12(6-7-21-18)13-8-15(20)16(23(2)3)9-14(13)19/h6-9,11H,5,10H2,1-4H3,(H,21,22)