[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H15ClN2O3 MolecularWeight: 282.7228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C13H15ClN2O3/c1-3-6-16-12(17)8(2)19-13(18)9-4-5-10(14)11(15)7-9/h3-5,7-8H,1,6,15H2,2H3,(H,16,17)