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

Systemtic Name: 4-chloranyl-6-[[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[(2S)-2-(diethylamino)-2-phenylethyl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[(2S)-2-(diethylamino)-2-phenylethyl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3/c1-3-22(4-2)18(14-8-6-5-7-9-14)13-21-12-15-10-16(20)11-17(19(15)24)23(25)26/h5-12,18,21H,3-4,13H2,1-2H3/t18-/m1/s1