3-nitro-4-[1-(oxolan-2-yl)ethylamino]benzoic acid

Systemtic Name: 3-nitro-4-[1-(oxolan-2-yl)ethylamino]benzoic acid Openeye Name: 3-nitro-4-(1-tetrahydrofuran-2-ylethylamino)benzoic acid CAS Name: 3-nitro-4-[1-(2-oxolanyl)ethylamino]benzoic acid IUPAC Name: 3-nitro-4-[1-(oxolan-2-yl)ethylamino]benzoic acid Traditional Name: 3-nitro-4-[1-(tetrahydrofuryl)ethylamino]benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCO1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1CCCO1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-8(12-3-2-6-20-12)14-10-5-4-9(13(16)17)7-11(10)15(18)19/h4-5,7-8,12,14H,2-3,6H2,1H3,(H,16,17)