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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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