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

Systemtic Name: 6-[[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]amino]methylidene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-2-methyl-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-2-methyl-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O4/c1-4-11(2)13-5-6-17(21)16(9-13)19-10-14-8-15(20(23)24)7-12(3)18(14)22/h5-11,19,21H,4H2,1-3H3/t11-/m0/s1