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

Systemtic Name: 6-[[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC=C1C=C(C=CC1=O)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(C)[C@H](CNC=C1C=C(C=CC1=O)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O3/c1-19(2)16(13-6-4-3-5-7-13)12-18-11-14-10-15(20(22)23)8-9-17(14)21/h3-11,16,18H,12H2,1-2H3/t16-/m1/s1