1-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline

Systemtic Name: 1-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[6-(3,5-dimethylphenoxy)-5-nitro-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[6-(3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[6-(3,5-dimethylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC4=CC=CC=C43)C

InChI

InChI=1S/C21H20N4O3/c1-14-10-15(2)12-17(11-14)28-21-19(25(26)27)20(22-13-23-21)24-9-5-7-16-6-3-4-8-18(16)24/h3-4,6,8,10-13H,5,7,9H2,1-2H3