(3E)-3-[[(phenylmethyl)amino]methylidene]oxane-2,4-dione

Systemtic Name: (3E)-3-[[(phenylmethyl)amino]methylidene]oxane-2,4-dione Openeye Name: (3E)-3-[(benzylamino)methylene]tetrahydropyran-2,4-dione CAS Name: (3E)-3-[[(phenylmethyl)amino]methylidene]oxane-2,4-dione IUPAC Name: (3E)-3-[(benzylamino)methylidene]oxane-2,4-dione Traditional Name: (3E)-3-[(benzylamino)methylene]tetrahydropyran-2,4-quinone Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C(=CNCC2=CC=CC=C2)C1=O

Isomeric SMILES

C1COC(=O)/C(=C/NCC2=CC=CC=C2)/C1=O

InChI

InChI=1S/C13H13NO3/c15-12-6-7-17-13(16)11(12)9-14-8-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2/b11-9+