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

Systemtic Name: 3-methyl-4-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoic acid Openeye Name: 3-methyl-4-(3-methyl-2,5-dioxo-pyrrol-1-yl)benzoic acid CAS Name: 3-methyl-4-(3-methyl-2,5-dioxo-1-pyrrolyl)benzoic acid IUPAC Name: 3-methyl-4-(3-methyl-2,5-dioxopyrrol-1-yl)benzoic acid Traditional Name: 4-citraconimido-3-methyl-benzoic acid Formula: C13H11NO4 MolecularWeight: 245.23074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO4/c1-7-5-9(13(17)18)3-4-10(7)14-11(15)6-8(2)12(14)16/h3-6H,1-2H3,(H,17,18)