2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-4-(2-morpholin-4-ylethylamino)-5-nitro-benzoic acid

Systemtic Name: 2-[(2-chloranyl-4-iodanyl-phenyl)amino]-3-fluoranyl-4-(2-morpholin-4-ylethylamino)-5-nitro-benzoic acid Openeye Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-4-(2-morpholinoethylamino)-5-nitro-benzoic acid CAS Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-4-[2-(4-morpholinyl)ethylamino]-5-nitrobenzoic acid IUPAC Name: 2-(2-chloro-4-iodoanilino)-3-fluoro-4-(2-morpholin-4-ylethylamino)-5-nitrobenzoic acid Traditional Name: 2-(2-chloro-4-iodo-anilino)-3-fluoro-4-(2-morpholinoethylamino)-5-nitro-benzoic acid Formula: C19H19ClFIN4O5 MolecularWeight: 564.733833

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCNC2=C(C=C(C(=C2F)NC3=C(C=C(C=C3)I)Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClFIN4O5/c20-13-9-11(22)1-2-14(13)24-17-12(19(27)28)10-15(26(29)30)18(16(17)21)23-3-4-25-5-7-31-8-6-25/h1-2,9-10,23-24H,3-8H2,(H,27,28)