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

Systemtic Name: 2,4-bis(chloranyl)-5-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid CAS Name: 2,4-dichloro-5-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 2,4-dichloro-5-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid Formula: C18H15Cl2N3O6 MolecularWeight: 440.2342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15Cl2N3O6/c19-12-9-13(20)14(8-11(12)18(25)26)21-17(24)10-1-2-15(16(7-10)23(27)28)22-3-5-29-6-4-22/h1-2,7-9H,3-6H2,(H,21,24)(H,25,26)