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

Systemtic Name: 4-[[4-[2-(dimethylazaniumyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-[2-(dimethylammonio)ethyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-[2-(dimethylammonio)ethyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-[2-(dimethylazaniumyl)ethyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-[2-(dimethylammonio)ethyl]-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5/c1-18(2)7-8-19-12-9-11(17-14(20)5-6-16(22)23)3-4-13(12)24-10-15(19)21/h3-4,9H,5-8,10H2,1-2H3,(H,17,20)(H,22,23)