6-[[[2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(hydroxymethyl)-1-oxidanyl-butan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[1,1-bis(hydroxymethyl)propylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[(1,1-dimethylolpropylamino)methylene]cyclohexa-2,4-dien-1-one Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)NC=C1C=CC=CC1=O

Isomeric SMILES

CCC(CO)(CO)NC=C1C=CC=CC1=O

InChI

InChI=1S/C12H17NO3/c1-2-12(8-14,9-15)13-7-10-5-3-4-6-11(10)16/h3-7,13-15H,2,8-9H2,1H3