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

Systemtic Name: N-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine Openeye Name: N-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-5-amine CAS Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-2-methyl-5-quinolinamine IUPAC Name: N-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-2-methylquinolin-5-amine Traditional Name: [6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-methyl-5-quinolyl)amine Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)OC4=CC(=C(C=C4)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)NC3=C(C(=NC=N3)OC4=CC(=C(C=C4)Cl)C)[N+](=O)[O-]

InChI

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