4-[[[2-oxidanyl-3-(propan-2-ylamino)propoxy]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[2-oxidanyl-3-(propan-2-ylamino)propoxy]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[2-hydroxy-3-(isopropylamino)propoxy]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[2-hydroxy-3-(propan-2-ylamino)propoxy]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[2-hydroxy-3-(propan-2-ylamino)propoxy]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[2-hydroxy-3-(isopropylamino)propoxy]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(CONC=C1C=CC(=O)C=C1)O

Isomeric SMILES

CC(C)NCC(CONC=C1C=CC(=O)C=C1)O

InChI

InChI=1S/C13H20N2O3/c1-10(2)14-8-13(17)9-18-15-7-11-3-5-12(16)6-4-11/h3-7,10,13-15,17H,8-9H2,1-2H3