1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-olate

Systemtic Name: 1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-olate Openeye Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-olate CAS Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-pyridin-1-iumolate IUPAC Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-olate Traditional Name: 1-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-olate Formula: C15H12N2O4 MolecularWeight: 284.26678

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)[O-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)[O-]

InChI

InChI=1S/C15H12N2O4/c18-11-2-1-5-17(7-11)8-13(19)10-3-4-14-12(6-10)16-15(20)9-21-14/h1-7H,8-9H2,(H-,16,18,20)