2-(2,3-dimethyl-5-nitro-isoquinolin-2-ium-4-yl)ethanoic acid

Systemtic Name: 2-(2,3-dimethyl-5-nitro-isoquinolin-2-ium-4-yl)ethanoic acid Openeye Name: 2-(2,3-dimethyl-5-nitro-isoquinolin-2-ium-4-yl)acetic acid CAS Name: 2-(2,3-dimethyl-5-nitro-4-isoquinolin-2-iumyl)acetic acid IUPAC Name: 2-(2,3-dimethyl-5-nitroisoquinolin-2-ium-4-yl)acetic acid Traditional Name: 2-(2,3-dimethyl-5-nitro-isoquinolin-2-ium-4-yl)acetic acid Formula: C13H13N2O4+ MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C2C=CC=C(C2=C1CC(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=[N+](C=C2C=CC=C(C2=C1CC(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C13H12N2O4/c1-8-10(6-12(16)17)13-9(7-14(8)2)4-3-5-11(13)15(18)19/h3-5,7H,6H2,1-2H3/p+1