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

Systemtic Name: 6-[[[5-[(2S)-butan-2-yl]-2-oxidanyl-phenyl]amino]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[5-[(2S)-butan-2-yl]-2-hydroxyanilino]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-hydroxy-5-[(1S)-1-methylpropyl]anilino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C17H17N3O6 MolecularWeight: 359.33338

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6/c1-3-10(2)11-4-5-16(21)14(7-11)18-9-12-6-13(19(23)24)8-15(17(12)22)20(25)26/h4-10,18,21H,3H2,1-2H3/t10-/m0/s1