4-[1-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)propan-2-ylideneamino]butanoic acid

Systemtic Name: 4-[1-(3-nitro-5-oxidanyl-1-benzofuran-2-yl)propan-2-ylideneamino]butanoic acid Openeye Name: 4-[[2-(5-hydroxy-3-nitro-benzofuran-2-yl)-1-methyl-ethylidene]amino]butanoic acid CAS Name: 4-[1-(5-hydroxy-3-nitro-2-benzofuranyl)propan-2-ylideneamino]butanoic acid IUPAC Name: 4-[1-(5-hydroxy-3-nitro-1-benzofuran-2-yl)propan-2-ylideneamino]butanoic acid Traditional Name: 4-[[2-(5-hydroxy-3-nitro-benzofuran-2-yl)-1-methyl-ethylidene]amino]butyric acid Formula: C15H16N2O6 MolecularWeight: 320.29734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCC(=O)O)CC1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(=NCCCC(=O)O)CC1=C(C2=C(O1)C=CC(=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N2O6/c1-9(16-6-2-3-14(19)20)7-13-15(17(21)22)11-8-10(18)4-5-12(11)23-13/h4-5,8,18H,2-3,6-7H2,1H3,(H,19,20)