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

Systemtic Name: 3-methyl-2-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylamino]butanoic acid Openeye Name: 3-methyl-2-[(2-nitro-3-phenyl-benzofuran-5-yl)methylamino]butanoic acid CAS Name: 3-methyl-2-[(2-nitro-3-phenyl-5-benzofuranyl)methylamino]butanoic acid IUPAC Name: 3-methyl-2-[(2-nitro-3-phenyl-1-benzofuran-5-yl)methylamino]butanoic acid Traditional Name: 3-methyl-2-[(2-nitro-3-phenyl-benzofuran-5-yl)methylamino]butyric acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5/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)