[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-fluoranylphenoxy)propanoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-fluoranylphenoxy)propanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] (2S)-2-(4-fluorophenoxy)propanoate CAS Name: (2S)-2-(4-fluorophenoxy)propanoic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (2S)-2-(4-fluorophenoxy)propanoate Traditional Name: (2S)-2-(4-fluorophenoxy)propionic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C18H17FN2O7 MolecularWeight: 392.335183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2O7/c1-11(28-13-5-3-12(19)4-6-13)18(23)27-10-17(22)20-15-8-7-14(26-2)9-16(15)21(24)25/h3-9,11H,10H2,1-2H3,(H,20,22)/t11-/m0/s1