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

Systemtic Name: N-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]quinolin-5-amine Openeye Name: N-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]quinolin-5-amine CAS Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-5-quinolinamine IUPAC Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]quinolin-5-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(5-quinolyl)amine Formula: C20H14ClN5O3 MolecularWeight: 407.80986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3C=CC=N4)Cl

InChI

InChI=1S/C20H14ClN5O3/c1-12-10-13(7-8-15(12)21)29-20-18(26(27)28)19(23-11-24-20)25-17-6-2-5-16-14(17)4-3-9-22-16/h2-11H,1H3,(H,23,24,25)