[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)OC(=O)C1=CC(=C(C=C1)Cl)N

InChI

InChI=1S/C13H16ClN3O4/c1-3-16-13(20)17-11(18)7(2)21-12(19)8-4-5-9(14)10(15)6-8/h4-7H,3,15H2,1-2H3,(H2,16,17,18,20)/t7-/m0/s1