6-[(5-azido-2-methyl-3-oxidanyl-phenyl)amino]-2-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[(5-azido-2-methyl-3-oxidanyl-phenyl)amino]-2-[1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]hexanoic acid Openeye Name: 6-(5-azido-3-hydroxy-2-methyl-anilino)-2-(1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-yl)hexanoic acid CAS Name: 6-(5-azido-3-hydroxy-2-methylanilino)-2-(1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumyl)hexanoic acid IUPAC Name: 6-(5-azido-3-hydroxy-2-methylanilino)-2-(1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-yl)hexanoic acid Traditional Name: 6-(5-azido-3-hydroxy-2-methyl-anilino)-2-(1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-yl)hexanoic acid Formula: C17H22N5O6+ MolecularWeight: 392.38648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1O)N=[N+]=[N-])NCCCCC(C(=O)O)[N+]2(C(=O)CCC2=O)O

Isomeric SMILES

CC1=C(C=C(C=C1O)N=[N+]=[N-])NCCCCC(C(=O)O)[N+]2(C(=O)CCC2=O)O

InChI

InChI=1S/C17H21N5O6/c1-10-12(8-11(20-21-18)9-14(10)23)19-7-3-2-4-13(17(26)27)22(28)15(24)5-6-16(22)25/h8-9,13,19,28H,2-7H2,1H3,(H-,23,26,27)/p+1