2-(2-morpholin-4-ylethylamino)-5-nitro-benzoic acid

Systemtic Name: 2-(2-morpholin-4-ylethylamino)-5-nitro-benzoic acid Openeye Name: 2-(2-morpholinoethylamino)-5-nitro-benzoic acid CAS Name: 2-[2-(4-morpholinyl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-(2-morpholin-4-ylethylamino)-5-nitrobenzoic acid Traditional Name: 2-(2-morpholinoethylamino)-5-nitro-benzoic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1COCCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H17N3O5/c17-13(18)11-9-10(16(19)20)1-2-12(11)14-3-4-15-5-7-21-8-6-15/h1-2,9,14H,3-8H2,(H,17,18)