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

Systemtic Name: 4-methoxy-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]-4-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]-4-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylidene]-4-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C=C1

Isomeric SMILES

COC1=CC(=CNC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C=C1

InChI

InChI=1S/C16H16N2O5/c1-23-14-6-7-15(19)12(8-14)9-17-10-16(20)11-2-4-13(5-3-11)18(21)22/h2-9,16-17,20H,10H2,1H3/t16-/m1/s1