4-[1-(4-chloranyl-2,6-dinitro-phenyl)butan-2-yl]quinoline

Systemtic Name: 4-[1-(4-chloranyl-2,6-dinitro-phenyl)butan-2-yl]quinoline Openeye Name: 4-[1-[(4-chloro-2,6-dinitro-phenyl)methyl]propyl]quinoline CAS Name: 4-[1-(4-chloro-2,6-dinitrophenyl)butan-2-yl]quinoline IUPAC Name: 4-[1-(4-chloro-2,6-dinitrophenyl)butan-2-yl]quinoline Traditional Name: 4-[1-(4-chloro-2,6-dinitro-benzyl)propyl]quinoline Formula: C19H16ClN3O4 MolecularWeight: 385.80104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C2=CC=NC3=CC=CC=C23

Isomeric SMILES

CCC(CC1=C(C=C(C=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C19H16ClN3O4/c1-2-12(14-7-8-21-17-6-4-3-5-15(14)17)9-16-18(22(24)25)10-13(20)11-19(16)23(26)27/h3-8,10-12H,2,9H2,1H3