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

Systemtic Name: 5-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzene-1,3-dicarboxylic acid Openeye Name: 5-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)benzene-1,3-dicarboxylic acid CAS Name: 5-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)benzene-1,3-dicarboxylic acid Traditional Name: 5-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)isophthalic acid Formula: C14H11NO6 MolecularWeight: 289.24024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO6/c1-6-7(2)12(17)15(11(6)16)10-4-8(13(18)19)3-9(5-10)14(20)21/h3-5H,1-2H3,(H,18,19)(H,20,21)