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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

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