N-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C22H18ClN5O3 MolecularWeight: 435.86302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)OC4=CC(=C(C(=C4)C)Cl)C)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)OC4=CC(=C(C(=C4)C)Cl)C)[N+](=O)[O-])C=C1

InChI

InChI=1S/C22H18ClN5O3/c1-12-9-16(10-13(2)18(12)23)31-22-20(28(29)30)21(24-11-25-22)27-17-6-4-5-15-8-7-14(3)26-19(15)17/h4-11H,1-3H3,(H,24,25,27)