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

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-thiophen-3-ylprop-2-enoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] (E)-3-(3-thienyl)prop-2-enoate CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate Traditional Name: (E)-3-(3-thienyl)acrylic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C15H11FN2O5S MolecularWeight: 350.321643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C=CC2=CSC=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)/C=C/C2=CSC=C2)[N+](=O)[O-])F

InChI

InChI=1S/C15H11FN2O5S/c16-12-3-2-11(7-13(12)18(21)22)17-14(19)8-23-15(20)4-1-10-5-6-24-9-10/h1-7,9H,8H2,(H,17,19)/b4-1+