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

Systemtic Name: N-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine Openeye Name: N-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]quinolin-8-amine CAS Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-8-quinolinamine IUPAC Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]quinolin-8-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(8-quinolyl)amine Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H16ClN5O3/c1-12-9-15(10-13(2)17(12)22)30-21-19(27(28)29)20(24-11-25-21)26-16-7-3-5-14-6-4-8-23-18(14)16/h3-11H,1-2H3,(H,24,25,26)