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

Systemtic Name: 3-methyl-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-5-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-5-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C19H19N3O7/c1-11-8-13(10-14(17(11)23)19(25)26)20-18(24)12-2-3-15(16(9-12)22(27)28)21-4-6-29-7-5-21/h2-3,8-10,23H,4-7H2,1H3,(H,20,24)(H,25,26)