5-chloranyl-2-methoxy-4-(3-methylbut-2-enoylamino)benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-(3-methylbut-2-enoylamino)benzoic acid Openeye Name: 5-chloro-2-methoxy-4-(3-methylbut-2-enoylamino)benzoic acid CAS Name: 5-chloro-2-methoxy-4-[(3-methyl-1-oxobut-2-enyl)amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-(3-methylbut-2-enoylamino)benzoic acid Traditional Name: 5-chloro-2-methoxy-4-(3-methylbut-2-enoylamino)benzoic acid Formula: C13H14ClNO4 MolecularWeight: 283.70756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)O)Cl)C

InChI

InChI=1S/C13H14ClNO4/c1-7(2)4-12(16)15-10-6-11(19-3)8(13(17)18)5-9(10)14/h4-6H,1-3H3,(H,15,16)(H,17,18)