[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18FN3O7 MolecularWeight: 431.371223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1F)OC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C20H18FN3O7/c1-12(19(26)22-15-6-3-2-5-14(15)21)30-18(25)7-4-10-23-16-9-8-13(24(28)29)11-17(16)31-20(23)27/h2-3,5-6,8-9,11-12H,4,7,10H2,1H3,(H,22,26)