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

Systemtic Name: 3-[(2-morpholin-4-yl-5-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid CAS Name: 3-[[[2-(4-morpholinyl)-5-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]benzoic acid Traditional Name: 3-[(2-morpholino-5-nitro-benzoyl)amino]benzoic acid Formula: C18H17N3O6 MolecularWeight: 371.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c22-17(19-13-3-1-2-12(10-13)18(23)24)15-11-14(21(25)26)4-5-16(15)20-6-8-27-9-7-20/h1-5,10-11H,6-9H2,(H,19,22)(H,23,24)