6-[[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(1S,2R)-1-(4-hydroxyphenyl)-1-oxidanyl-propan-2-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C16H16N2O5 MolecularWeight: 316.30864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)O)O)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5/c1-10(16(21)11-2-5-14(19)6-3-11)17-9-12-8-13(18(22)23)4-7-15(12)20/h2-10,16-17,19,21H,1H3/t10-,16-/m1/s1