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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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