2-[5-fluoranyl-4-morpholin-4-yl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-4-morpholin-4-yl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]ethanoic acid Openeye Name: 2-[5-fluoro-4-morpholino-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetic acid CAS Name: 2-[5-fluoro-4-(4-morpholinyl)-2-[[(3-nitrophenyl)methylamino]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[5-fluoro-4-morpholin-4-yl-2-[(3-nitrophenyl)methylcarbamoyl]phenoxy]acetic acid Traditional Name: 2-[5-fluoro-4-morpholino-2-[(3-nitrobenzyl)carbamoyl]phenoxy]acetic acid Formula: C20H20FN3O7 MolecularWeight: 433.387103

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C(=C2)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-])OCC(=O)O)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C(=C2)C(=O)NCC3=CC(=CC=C3)[N+](=O)[O-])OCC(=O)O)F

InChI

InChI=1S/C20H20FN3O7/c21-16-10-18(31-12-19(25)26)15(9-17(16)23-4-6-30-7-5-23)20(27)22-11-13-2-1-3-14(8-13)24(28)29/h1-3,8-10H,4-7,11-12H2,(H,22,27)(H,25,26)