2-(1-pyrrolidin-1-ylethylidene)indene-1,3-dione hydrate

Systemtic Name: 2-(1-pyrrolidin-1-ylethylidene)indene-1,3-dione hydrate Openeye Name: 2-(1-pyrrolidin-1-ylethylidene)indane-1,3-dione hydrate CAS Name: 2-[1-(1-pyrrolidinyl)ethylidene]indene-1,3-dione hydrate IUPAC Name: 2-(1-pyrrolidin-1-ylethylidene)indene-1,3-dione hydrate Traditional Name: 2-(1-pyrrolidinoethylidene)indane-1,3-quinone hydrate Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCCC3.O

Isomeric SMILES

CC(=C1C(=O)C2=CC=CC=C2C1=O)N3CCCC3.O

InChI

InChI=1S/C15H15NO2.H2O/c1-10(16-8-4-5-9-16)13-14(17)11-6-2-3-7-12(11)15(13)18;/h2-3,6-7H,4-5,8-9H2,1H3;1H2