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

Systemtic Name: 3-methyl-4-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid CAS Name: 3-methyl-4-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6/c1-12-10-13(19(24)25)2-4-16(12)20-18(23)15-11-14(22(26)27)3-5-17(15)21-6-8-28-9-7-21/h2-5,10-11H,6-9H2,1H3,(H,20,23)(H,24,25)