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

Systemtic Name: 1-[6-(4-chloranyl-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Openeye Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline CAS Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitro-4-pyrimidinyl]-3,4-dihydro-2H-quinoline IUPAC Name: 1-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-2H-quinoline Traditional Name: 1-[6-(4-chloro-3-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-2H-quinoline Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4O3/c1-13-11-15(8-9-16(13)21)28-20-18(25(26)27)19(22-12-23-20)24-10-4-6-14-5-2-3-7-17(14)24/h2-3,5,7-9,11-12H,4,6,10H2,1H3