ethanedioic acid; methyl 7-(2-azanylpropyl)-4-chloranyl-1-benzofuran-5-carboxylate

Systemtic Name: ethanedioic acid; methyl 7-(2-azanylpropyl)-4-chloranyl-1-benzofuran-5-carboxylate Openeye Name: methyl 7-(2-aminopropyl)-4-chloro-benzofuran-5-carboxylate; oxalic acid CAS Name: 7-(2-aminopropyl)-4-chloro-5-benzofurancarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 7-(2-aminopropyl)-4-chloro-1-benzofuran-5-carboxylate; oxalic acid Traditional Name: 7-(2-aminopropyl)-4-chloro-benzofuran-5-carboxylic acid methyl ester; oxalic acid Formula: C15H16ClNO7 MolecularWeight: 357.74304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C(=C(C(=C1)C(=O)OC)Cl)C=CO2)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=C2C(=C(C(=C1)C(=O)OC)Cl)C=CO2)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H14ClNO3.C2H2O4/c1-7(15)5-8-6-10(13(16)17-2)11(14)9-3-4-18-12(8)9;3-1(4)2(5)6/h3-4,6-7H,5,15H2,1-2H3;(H,3,4)(H,5,6)