4-chloranyl-6-[[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C17H18ClN3O3 MolecularWeight: 347.79612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl)C2=CC=CC=C2

Isomeric SMILES

CN(C)[C@H](CNC=C1C=C(C=C(C1=O)[N+](=O)[O-])Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H18ClN3O3/c1-20(2)16(12-6-4-3-5-7-12)11-19-10-13-8-14(18)9-15(17(13)22)21(23)24/h3-10,16,19H,11H2,1-2H3/t16-/m1/s1