N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-(4-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-(4-methoxyphenoxy)-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C21H17N5O4 MolecularWeight: 403.39078

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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)OC)[N+](=O)[O-])C=C1

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O4/c1-13-6-7-14-4-3-5-17(18(14)24-13)25-20-19(26(27)28)21(23-12-22-20)30-16-10-8-15(29-2)9-11-16/h3-12H,1-2H3,(H,22,23,25)