3-methyl-2-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylamino]butanoic acid hydrochloride

Systemtic Name: 3-methyl-2-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylamino]butanoic acid hydrochloride Openeye Name: 3-methyl-2-[(2-nitro-3-phenyl-benzofuran-5-yl)methylamino]butanoic acid hydrochloride CAS Name: 3-methyl-2-[(2-nitro-3-phenyl-5-benzofuranyl)methylamino]butanoic acid hydrochloride IUPAC Name: 3-methyl-2-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylamino]butanoic acid hydrochloride Traditional Name: 3-methyl-2-[(2-nitro-3-phenyl-benzofuran-5-yl)methylamino]butyric acid hydrochloride Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)[N+](=O)[O-].Cl

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H20N2O5.ClH/c1-12(2)18(20(23)24)21-11-13-8-9-16-15(10-13)17(19(27-16)22(25)26)14-6-4-3-5-7-14;/h3-10,12,18,21H,11H2,1-2H3,(H,23,24);1H