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

Systemtic Name: N-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(5-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=C3C=CC=N4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4

InChI

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