2-(3-ethylmorpholin-4-yl)-5-nitro-benzoic acid

Systemtic Name: 2-(3-ethylmorpholin-4-yl)-5-nitro-benzoic acid Openeye Name: 2-(3-ethylmorpholin-4-yl)-5-nitro-benzoic acid CAS Name: 2-(3-ethyl-4-morpholinyl)-5-nitrobenzoic acid IUPAC Name: 2-(3-ethylmorpholin-4-yl)-5-nitrobenzoic acid Traditional Name: 2-(3-ethylmorpholino)-5-nitro-benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H16N2O5/c1-2-9-8-20-6-5-14(9)12-4-3-10(15(18)19)7-11(12)13(16)17/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17)