4-[[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]methyl]benzoic acid Openeye Name: 4-[(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)methyl]benzoic acid CAS Name: 4-[(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)methyl]benzoic acid IUPAC Name: 4-[(3,4-dimethyl-2,5-dioxopyrrol-1-yl)methyl]benzoic acid Traditional Name: 4-[(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)methyl]benzoic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C14H13NO4/c1-8-9(2)13(17)15(12(8)16)7-10-3-5-11(6-4-10)14(18)19/h3-6H,7H2,1-2H3,(H,18,19)