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

Systemtic Name: 6-[[[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c18-14-4-2-1-3-12(14)9-16-10-15(19)11-5-7-13(8-6-11)17(20)21/h1-9,15-16,19H,10H2/t15-/m1/s1