5-[1,4-bis(oxidanylidene)naphthalen-2-yl]-2-(carboxymethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 5-[1,4-bis(oxidanylidene)naphthalen-2-yl]-2-(carboxymethyl)-1,4-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 2-(carboxymethyl)-5-(1,4-dioxo-2-naphthyl)-1,4-dimethyl-pyrrole-3-carboxylic acid CAS Name: 2-(carboxymethyl)-5-(1,4-dioxo-2-naphthalenyl)-1,4-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 2-(carboxymethyl)-5-(1,4-dioxonaphthalen-2-yl)-1,4-dimethylpyrrole-3-carboxylic acid Traditional Name: 2-(carboxymethyl)-5-(1,4-diketo-2-naphthyl)-1,4-dimethyl-pyrrole-3-carboxylic acid Formula: C19H15NO6 MolecularWeight: 353.3255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)O)CC(=O)O)C)C2=CC(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(N(C(=C1C(=O)O)CC(=O)O)C)C2=CC(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H15NO6/c1-9-16(19(25)26)13(8-15(22)23)20(2)17(9)12-7-14(21)10-5-3-4-6-11(10)18(12)24/h3-7H,8H2,1-2H3,(H,22,23)(H,25,26)