3-[(5-nitrofuran-2-yl)methylamino]benzoic acid

Systemtic Name: 3-[(5-nitrofuran-2-yl)methylamino]benzoic acid Openeye Name: 3-[(5-nitro-2-furyl)methylamino]benzoic acid CAS Name: 3-[(5-nitro-2-furanyl)methylamino]benzoic acid IUPAC Name: 3-[(5-nitrofuran-2-yl)methylamino]benzoic acid Traditional Name: 3-[(5-nitro-2-furyl)methylamino]benzoic acid Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC=C(O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC=C(O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H10N2O5/c15-12(16)8-2-1-3-9(6-8)13-7-10-4-5-11(19-10)14(17)18/h1-6,13H,7H2,(H,15,16)