2-[(6-acetyloxy-5-chloranyl-1-benzofuran-2-yl)carbonyl-[(2-nitrophenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[(6-acetyloxy-5-chloranyl-1-benzofuran-2-yl)carbonyl-[(2-nitrophenyl)methyl]amino]ethanoic acid Openeye Name: 2-[(6-acetoxy-5-chloro-benzofuran-2-carbonyl)-[(2-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[[(6-acetyloxy-5-chloro-2-benzofuranyl)-oxomethyl]-[(2-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[(6-acetyloxy-5-chloro-1-benzofuran-2-carbonyl)-[(2-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[(6-acetoxy-5-chloro-benzofuran-2-carbonyl)-(2-nitrobenzyl)amino]acetic acid Formula: C20H15ClN2O8 MolecularWeight: 446.7947

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C=C(OC2=C1)C(=O)N(CC3=CC=CC=C3[N+](=O)[O-])CC(=O)O)Cl

Isomeric SMILES

CC(=O)OC1=C(C=C2C=C(OC2=C1)C(=O)N(CC3=CC=CC=C3[N+](=O)[O-])CC(=O)O)Cl

InChI

InChI=1S/C20H15ClN2O8/c1-11(24)30-17-8-16-13(6-14(17)21)7-18(31-16)20(27)22(10-19(25)26)9-12-4-2-3-5-15(12)23(28)29/h2-8H,9-10H2,1H3,(H,25,26)