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

Systemtic Name: 4-chloranyl-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid CAS Name: 4-chloro-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid Traditional Name: 4-chloro-3-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid Formula: C18H16ClN3O6 MolecularWeight: 405.78914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O6/c19-13-3-1-12(18(24)25)9-14(13)20-17(23)11-2-4-15(16(10-11)22(26)27)21-5-7-28-8-6-21/h1-4,9-10H,5-8H2,(H,20,23)(H,24,25)