5-methyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate

Systemtic Name: 5-methyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate Openeye Name: 2-[1-(allyloxyamino)propylidene]-5-methyl-cyclohexane-1,3-dione hydrate CAS Name: 5-methyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate IUPAC Name: 5-methyl-2-[1-(prop-2-enoxyamino)propylidene]cyclohexane-1,3-dione hydrate Traditional Name: 2-[1-(allyloxyamino)propylidene]-5-methyl-cyclohexane-1,3-quinone hydrate Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C)NOCC=C.O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C)NOCC=C.O

InChI

InChI=1S/C13H19NO3.H2O/c1-4-6-17-14-10(5-2)13-11(15)7-9(3)8-12(13)16;/h4,9,14H,1,5-8H2,2-3H3;1H2