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

Systemtic Name: 4-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: 4-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)benzoate CAS Name: 4-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)benzoate IUPAC Name: 4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)benzoate Traditional Name: 4-(2,5-diketo-3,4-dimethyl-3-pyrrolin-1-yl)benzoate Formula: C13H10NO4- MolecularWeight: 244.2228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)[O-])C

InChI

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