4-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]amino]-2-nitro-benzoic acid

Systemtic Name: 4-[[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]amino]-2-nitro-benzoic acid Openeye Name: 4-[[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]amino]-2-nitro-benzoic acid CAS Name: 4-[[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]amino]-2-nitrobenzoic acid IUPAC Name: 4-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-nitrobenzoic acid Traditional Name: 4-[(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)amino]-2-nitro-benzoic acid Formula: C12H14N2O8 MolecularWeight: 314.24816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2C(C(C(O2)CO)O)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2C(C(C(O2)CO)O)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H14N2O8/c15-4-8-9(16)10(17)11(22-8)13-5-1-2-6(12(18)19)7(3-5)14(20)21/h1-3,8-11,13,15-17H,4H2,(H,18,19)