[2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylamino)ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-(allylamino)-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-(prop-2-enylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylamino)ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-(allylamino)-2-keto-ethyl] ester Formula: C12H13ClN2O3 MolecularWeight: 268.69622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

C=CCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C12H13ClN2O3/c1-2-5-15-11(16)7-18-12(17)8-3-4-9(13)10(14)6-8/h2-4,6H,1,5,7,14H2,(H,15,16)