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

Systemtic Name: methyl 4-chloranyl-3-(3-methylbut-2-enoylamino)benzoate Openeye Name: methyl 4-chloro-3-(3-methylbut-2-enoylamino)benzoate CAS Name: 4-chloro-3-[(3-methyl-1-oxobut-2-enyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(3-methylbut-2-enoylamino)benzoate Traditional Name: 4-chloro-3-(3-methylbut-2-enoylamino)benzoic acid methyl ester Formula: C13H14ClNO3 MolecularWeight: 267.70816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO3/c1-8(2)6-12(16)15-11-7-9(13(17)18-3)4-5-10(11)14/h4-7H,1-3H3,(H,15,16)