2-[3-tert-butyl-3-(carboxymethyl)-4-oxidanylidene-phthalazin-3-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-tert-butyl-3-(carboxymethyl)-4-oxidanylidene-phthalazin-3-ium-1-yl]ethanoic acid Openeye Name: 2-[3-tert-butyl-3-(carboxymethyl)-4-oxo-phthalazin-3-ium-1-yl]acetic acid CAS Name: 2-[3-tert-butyl-3-(carboxymethyl)-4-oxo-1-phthalazin-3-iumyl]acetic acid IUPAC Name: 2-[3-tert-butyl-3-(carboxymethyl)-4-oxophthalazin-3-ium-1-yl]acetic acid Traditional Name: 2-[3-tert-butyl-3-(carboxymethyl)-4-keto-phthalazin-3-ium-1-yl]acetic acid Formula: C16H19N2O5+ MolecularWeight: 319.33246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1(C(=O)C2=CC=CC=C2C(=N1)CC(=O)O)CC(=O)O

Isomeric SMILES

CC(C)(C)[N+]1(C(=O)C2=CC=CC=C2C(=N1)CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H18N2O5/c1-16(2,3)18(9-14(21)22)15(23)11-7-5-4-6-10(11)12(17-18)8-13(19)20/h4-7H,8-9H2,1-3H3,(H-,19,20,21,22)/p+1