4-chloranyl-3-(3-methylbut-2-enoylamino)benzoate

Systemtic Name: 4-chloranyl-3-(3-methylbut-2-enoylamino)benzoate Openeye Name: 4-chloro-3-(3-methylbut-2-enoylamino)benzoate CAS Name: 4-chloro-3-[(3-methyl-1-oxobut-2-enyl)amino]benzoate IUPAC Name: 4-chloro-3-(3-methylbut-2-enoylamino)benzoate Traditional Name: 4-chloro-3-(3-methylbut-2-enoylamino)benzoate Formula: C12H11ClNO3- MolecularWeight: 252.67364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl)C

InChI

InChI=1S/C12H12ClNO3/c1-7(2)5-11(15)14-10-6-8(12(16)17)3-4-9(10)13/h3-6H,1-2H3,(H,14,15)(H,16,17)/p-1