3-methyl-4-[[4-(5-methylfuran-2-yl)-4-oxidanylidene-but-1-en-2-yl]amino]benzoic acid

Systemtic Name: 3-methyl-4-[[4-(5-methylfuran-2-yl)-4-oxidanylidene-but-1-en-2-yl]amino]benzoic acid Openeye Name: 3-methyl-4-[[1-methylene-3-(5-methyl-2-furyl)-3-oxo-propyl]amino]benzoic acid CAS Name: 3-methyl-4-[[4-(5-methyl-2-furanyl)-4-oxobut-1-en-2-yl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[4-(5-methylfuran-2-yl)-4-oxobut-1-en-2-yl]amino]benzoic acid Traditional Name: 4-[1-[2-keto-2-(5-methyl-2-furyl)ethyl]vinylamino]-3-methyl-benzoic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)CC(=C)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC=C(O1)C(=O)CC(=C)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C17H17NO4/c1-10-8-13(17(20)21)5-6-14(10)18-11(2)9-15(19)16-7-4-12(3)22-16/h4-8,18H,2,9H2,1,3H3,(H,20,21)