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

Systemtic Name: 4-[[4-[3-(dimethylazaniumyl)propyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-[3-(dimethylammonio)propyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-[3-(dimethylammonio)propyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-[3-(dimethylazaniumyl)propyl]-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-[3-(dimethylammonio)propyl]-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C(=O)COC2=C1C=C(C=C2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-19(2)8-3-9-20-13-10-12(18-15(21)6-7-17(23)24)4-5-14(13)25-11-16(20)22/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,21)(H,23,24)