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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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