2-(1,3-benzodioxol-5-yl)-6-nitro-4-phenyl-quinoline hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-nitro-4-phenyl-quinoline hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-nitro-4-phenyl-quinoline hydrochloride CAS Name: 2-(1,3-benzodioxol-5-yl)-6-nitro-4-phenylquinoline hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-nitro-4-phenylquinoline hydrochloride Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-nitro-4-phenyl-quinoline hydrochloride Formula: C22H15ClN2O4 MolecularWeight: 406.8185

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=C3)C5=CC=CC=C5.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=C3)C5=CC=CC=C5.Cl

InChI

InChI=1S/C22H14N2O4.ClH/c25-24(26)16-7-8-19-18(11-16)17(14-4-2-1-3-5-14)12-20(23-19)15-6-9-21-22(10-15)28-13-27-21;/h1-12H,13H2;1H