2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitro-benzoic acid

Systemtic Name: 2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitro-benzoic acid Openeye Name: 2-[(2-morpholino-2-tetrahydrofuran-3-yl-ethyl)amino]-5-nitro-benzoic acid CAS Name: 2-[[2-(4-morpholinyl)-2-(3-oxolanyl)ethyl]amino]-5-nitrobenzoic acid IUPAC Name: 2-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-5-nitrobenzoic acid Traditional Name: 2-[(2-morpholino-2-tetrahydrofuran-3-yl-ethyl)amino]-5-nitro-benzoic acid Formula: C17H23N3O6 MolecularWeight: 365.38102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC1C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)N3CCOCC3

Isomeric SMILES

C1COCC1C(CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)N3CCOCC3

InChI

InChI=1S/C17H23N3O6/c21-17(22)14-9-13(20(23)24)1-2-15(14)18-10-16(12-3-6-26-11-12)19-4-7-25-8-5-19/h1-2,9,12,16,18H,3-8,10-11H2,(H,21,22)