4-[[4-(dimethylamino)-4-oxidanylidene-but-2-ynoyl]amino]benzoic acid

Systemtic Name: 4-[[4-(dimethylamino)-4-oxidanylidene-but-2-ynoyl]amino]benzoic acid Openeye Name: 4-[[4-(dimethylamino)-4-oxo-but-2-ynoyl]amino]benzoic acid CAS Name: 4-[[4-(dimethylamino)-1,4-dioxobut-2-ynyl]amino]benzoic acid IUPAC Name: 4-[[4-(dimethylamino)-4-oxobut-2-ynoyl]amino]benzoic acid Traditional Name: 4-[[4-(dimethylamino)-4-keto-but-2-ynoyl]amino]benzoic acid Formula: C13H12N2O4 MolecularWeight: 260.24538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C#CC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN(C)C(=O)C#CC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H12N2O4/c1-15(2)12(17)8-7-11(16)14-10-5-3-9(4-6-10)13(18)19/h3-6H,1-2H3,(H,14,16)(H,18,19)