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

Systemtic Name: methyl 1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H15N2O5+ MolecularWeight: 327.3114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H14N2O5/c1-23-17(22)12-3-2-6-19(8-12)9-14(20)11-4-5-15-13(7-11)18-16(21)10-24-15/h2-8H,9-10H2,1H3/p+1