(2Z)-4-oxidanylidene-5-propyl-1,5-benzoxazocin-5-ium-2-olate

Systemtic Name: (2Z)-4-oxidanylidene-5-propyl-1,5-benzoxazocin-5-ium-2-olate Openeye Name: (2Z)-4-oxo-5-propyl-1,5-benzoxazocin-5-ium-2-olate CAS Name: (2Z)-4-oxo-5-propyl-1,5-benzoxazocin-5-ium-2-olate IUPAC Name: (2Z)-4-oxo-5-propyl-1,5-benzoxazocin-5-ium-2-olate Traditional Name: (2Z)-4-keto-5-propyl-1,5-benzoxazocin-5-ium-2-olate Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC2=CC=CC=C2OC(=CC1=O)[O-]

Isomeric SMILES

CCC[N+]1=CC2=CC=CC=C2O/C(=C\C1=O)/[O-]

InChI

InChI=1S/C13H13NO3/c1-2-7-14-9-10-5-3-4-6-11(10)17-13(16)8-12(14)15/h3-6,8-9H,2,7H2,1H3