4-[[1-(3-nitrodibenzofuran-2-yl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[1-(3-nitrodibenzofuran-2-yl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-hydroxy-1-(3-nitrodibenzofuran-2-yl)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-hydroxy-1-(3-nitro-2-dibenzofuranyl)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-hydroxy-1-(3-nitrodibenzofuran-2-yl)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-hydroxy-2-keto-1-(3-nitrodibenzofuran-2-yl)ethyl]amino]butyric acid Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC(=C(C=C3O2)[N+](=O)[O-])C(C(=O)O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC(=C(C=C3O2)[N+](=O)[O-])C(C(=O)O)NCCCC(=O)O

InChI

InChI=1S/C18H16N2O7/c21-16(22)6-3-7-19-17(18(23)24)12-8-11-10-4-1-2-5-14(10)27-15(11)9-13(12)20(25)26/h1-2,4-5,8-9,17,19H,3,6-7H2,(H,21,22)(H,23,24)