6-[[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1)O)NC=C2C=CC=C(C2=O)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC(=C(C=C1)O)NC=C2C=CC=C(C2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4/c1-3-11(2)12-7-8-16(20)14(9-12)18-10-13-5-4-6-15(17(13)21)19(22)23/h4-11,18,20H,3H2,1-2H3/t11-/m0/s1