(3-azanyl-3-oxidanylidene-propyl) 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl) 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (3-amino-3-oxo-propyl) 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid (3-amino-3-oxopropyl) ester IUPAC Name: (3-amino-3-oxopropyl) 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid (3-amino-3-keto-propyl) ester Formula: C13H12ClNO4 MolecularWeight: 281.69168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCCC(=O)N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCCC(=O)N

InChI

InChI=1S/C13H12ClNO4/c1-7-9-6-8(14)2-3-10(9)19-12(7)13(17)18-5-4-11(15)16/h2-3,6H,4-5H2,1H3,(H2,15,16)