2-[1-(ethoxyamino)propylidene]-5-phenyl-cyclohexane-1,3-dione hydrate

Systemtic Name: 2-[1-(ethoxyamino)propylidene]-5-phenyl-cyclohexane-1,3-dione hydrate Openeye Name: 2-[1-(ethoxyamino)propylidene]-5-phenyl-cyclohexane-1,3-dione hydrate CAS Name: 2-[1-(ethoxyamino)propylidene]-5-phenylcyclohexane-1,3-dione hydrate IUPAC Name: 2-[1-(ethoxyamino)propylidene]-5-phenylcyclohexane-1,3-dione hydrate Traditional Name: 2-[1-(ethoxyamino)propylidene]-5-phenyl-cyclohexane-1,3-quinone hydrate Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NOCC.O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NOCC.O

InChI

InChI=1S/C17H21NO3.H2O/c1-3-14(18-21-4-2)17-15(19)10-13(11-16(17)20)12-8-6-5-7-9-12;/h5-9,13,18H,3-4,10-11H2,1-2H3;1H2