4-azanyl-2-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(5-chloranyl-2,3-dihydro-1-benzofuran-2-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(5-chloro-2,3-dihydrobenzofuran-2-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(5-chloro-2,3-dihydrobenzofuran-2-yl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(5-chlorocoumaran-2-carbonyl)amino]-4-keto-butyric acid Formula: C13H13ClN2O5 MolecularWeight: 312.70572

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)Cl)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1C(OC2=C1C=C(C=C2)Cl)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H13ClN2O5/c14-7-1-2-9-6(3-7)4-10(21-9)12(18)16-8(13(19)20)5-11(15)17/h1-3,8,10H,4-5H2,(H2,15,17)(H,16,18)(H,19,20)