3-nitro-4-(oxan-4-ylamino)benzoic acid

Systemtic Name: 3-nitro-4-(oxan-4-ylamino)benzoic acid Openeye Name: 3-nitro-4-(tetrahydropyran-4-ylamino)benzoic acid CAS Name: 3-nitro-4-(4-oxanylamino)benzoic acid IUPAC Name: 3-nitro-4-(oxan-4-ylamino)benzoic acid Traditional Name: 3-nitro-4-(tetrahydropyran-4-ylamino)benzoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O5/c15-12(16)8-1-2-10(11(7-8)14(17)18)13-9-3-5-19-6-4-9/h1-2,7,9,13H,3-6H2,(H,15,16)