5-[3-(aminomethyl)-4-oxidanyl-phenyl]carbonyl-6,7-bis(chloranyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Systemtic Name: 5-[3-(aminomethyl)-4-oxidanyl-phenyl]carbonyl-6,7-bis(chloranyl)-2,3-dihydro-1-benzofuran-2-carboxamide Openeye Name: 5-[3-(aminomethyl)-4-hydroxy-benzoyl]-6,7-dichloro-2,3-dihydrobenzofuran-2-carboxamide CAS Name: 5-[[3-(aminomethyl)-4-hydroxyphenyl]-oxomethyl]-6,7-dichloro-2,3-dihydrobenzofuran-2-carboxamide IUPAC Name: 5-[3-(aminomethyl)-4-hydroxybenzoyl]-6,7-dichloro-2,3-dihydro-1-benzofuran-2-carboxamide Traditional Name: 5-[3-(aminomethyl)-4-hydroxy-benzoyl]-6,7-dichloro-coumaran-2-carboxamide Formula: C17H14Cl2N2O4 MolecularWeight: 381.21006

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC(=C(C=C3)O)CN)C(=O)N

Isomeric SMILES

C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC(=C(C=C3)O)CN)C(=O)N

InChI

InChI=1S/C17H14Cl2N2O4/c18-13-10(15(23)7-1-2-11(22)9(3-7)6-20)4-8-5-12(17(21)24)25-16(8)14(13)19/h1-4,12,22H,5-6,20H2,(H2,21,24)