6-[[[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)C=C1

InChI

InChI=1S/C18H20N2O5/c1-2-9-25-16-8-5-14(17(21)10-16)11-19-12-18(22)13-3-6-15(7-4-13)20(23)24/h3-8,10-11,18-19,22H,2,9,12H2,1H3/t18-/m1/s1