(6E)-3-propoxy-6-[(prop-2-ynylamino)methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-3-propoxy-6-[(prop-2-ynylamino)methylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-3-propoxy-6-[(prop-2-ynylamino)methylene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-3-propoxy-6-[(prop-2-ynylamino)methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-3-propoxy-6-[(prop-2-ynylamino)methylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(propargylamino)methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC#C)C=C1

Isomeric SMILES

CCCOC1=CC(=O)/C(=C/NCC#C)/C=C1

InChI

InChI=1S/C13H15NO2/c1-3-7-14-10-11-5-6-12(9-13(11)15)16-8-4-2/h1,5-6,9-10,14H,4,7-8H2,2H3/b11-10+