5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 2-hydroxy-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O7/c22-16-4-2-12(10-13(16)18(24)25)19-17(23)11-1-3-14(15(9-11)21(26)27)20-5-7-28-8-6-20/h1-4,9-10,22H,5-8H2,(H,19,23)(H,24,25)