[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate CAS Name: (E)-3-(4-fluorophenyl)-2-propenoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(4-fluorophenyl)acrylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H12FN3O5 MolecularWeight: 369.303383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)F

InChI

InChI=1S/C18H12FN3O5/c19-14-4-1-12(2-5-14)3-8-18(24)27-11-17(23)21-16-7-6-15(22(25)26)9-13(16)10-20/h1-9H,11H2,(H,21,23)/b8-3+