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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12FN3O5/c19-15-7-6-14(9-16(15)22(25)26)21-17(23)11-27-18(24)13(10-20)8-12-4-2-1-3-5-12/h1-9H,11H2,(H,21,23)/b13-8+