6-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-yl-ethyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-2-morpholino-2-(2-thienyl)ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-(4-morpholinyl)-2-thiophen-2-ylethyl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-morpholino-2-(2-thienyl)ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1COCCN1[C@@H](CNC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H19N3O4S/c21-16-4-3-14(20(22)23)10-13(16)11-18-12-15(17-2-1-9-25-17)19-5-7-24-8-6-19/h1-4,9-11,15,18H,5-8,12H2/t15-/m0/s1