methyl 4-acetamido-2-[(3-chloranyl-2-oxidanyl-propyl)amino]benzoate

Systemtic Name: methyl 4-acetamido-2-[(3-chloranyl-2-oxidanyl-propyl)amino]benzoate Openeye Name: methyl 4-acetamido-2-[(3-chloro-2-hydroxy-propyl)amino]benzoate CAS Name: 4-acetamido-2-[(3-chloro-2-hydroxypropyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-acetamido-2-[(3-chloro-2-hydroxypropyl)amino]benzoate Traditional Name: 4-acetamido-2-[(3-chloro-2-hydroxy-propyl)amino]benzoic acid methyl ester Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)OC)NCC(CCl)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)OC)NCC(CCl)O

InChI

InChI=1S/C13H17ClN2O4/c1-8(17)16-9-3-4-11(13(19)20-2)12(5-9)15-7-10(18)6-14/h3-5,10,15,18H,6-7H2,1-2H3,(H,16,17)