4-[(6-morpholin-4-yl-3-nitro-pyridin-2-yl)amino]benzoic acid

Systemtic Name: 4-[(6-morpholin-4-yl-3-nitro-pyridin-2-yl)amino]benzoic acid Openeye Name: 4-[(6-morpholino-3-nitro-2-pyridyl)amino]benzoic acid CAS Name: 4-[[6-(4-morpholinyl)-3-nitro-2-pyridinyl]amino]benzoic acid IUPAC Name: 4-[(6-morpholin-4-yl-3-nitropyridin-2-yl)amino]benzoic acid Traditional Name: 4-[(6-morpholino-3-nitro-2-pyridyl)amino]benzoic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCN1C2=NC(=C(C=C2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H16N4O5/c21-16(22)11-1-3-12(4-2-11)17-15-13(20(23)24)5-6-14(18-15)19-7-9-25-10-8-19/h1-6H,7-10H2,(H,17,18)(H,21,22)