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

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C15H15ClN2O4/c1-9(14(19)18-8-11-3-2-6-21-11)22-15(20)10-4-5-12(16)13(17)7-10/h2-7,9H,8,17H2,1H3,(H,18,19)/t9-/m0/s1