5-[1-(furan-2-yl)ethylamino]-2-nitro-benzoic acid

Systemtic Name: 5-[1-(furan-2-yl)ethylamino]-2-nitro-benzoic acid Openeye Name: 5-[1-(2-furyl)ethylamino]-2-nitro-benzoic acid CAS Name: 5-[1-(2-furanyl)ethylamino]-2-nitrobenzoic acid IUPAC Name: 5-[1-(furan-2-yl)ethylamino]-2-nitrobenzoic acid Traditional Name: 5-[1-(2-furyl)ethylamino]-2-nitro-benzoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C1=CC=CO1)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H12N2O5/c1-8(12-3-2-6-20-12)14-9-4-5-11(15(18)19)10(7-9)13(16)17/h2-8,14H,1H3,(H,16,17)