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

Systemtic Name: 4-chloranyl-3-[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoic acid Openeye Name: 4-chloro-3-(3-methyl-2,5-dioxo-pyrrol-1-yl)benzoic acid CAS Name: 4-chloro-3-(3-methyl-2,5-dioxo-1-pyrrolyl)benzoic acid IUPAC Name: 4-chloro-3-(3-methyl-2,5-dioxopyrrol-1-yl)benzoic acid Traditional Name: 4-chloro-3-citraconimido-benzoic acid Formula: C12H8ClNO4 MolecularWeight: 265.64922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClNO4/c1-6-4-10(15)14(11(6)16)9-5-7(12(17)18)2-3-8(9)13/h2-5H,1H3,(H,17,18)