4-[4-[2-(dimethylazaniumyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[4-[2-(dimethylazaniumyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[2-(dimethylammonio)ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[4-[2-(dimethylammonio)ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[4-[2-(dimethylazaniumyl)ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[4-[2-(dimethylammonio)ethyl]-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H20N2O5/c1-17(2)7-8-18-12-9-11(13(19)4-6-16(21)22)3-5-14(12)23-10-15(18)20/h3,5,9H,4,6-8,10H2,1-2H3,(H,21,22)