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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] (E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-fluoro-4-methoxyphenyl)-2-propenoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] (E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-fluoro-4-methoxy-phenyl)acrylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C18H15FN2O6 MolecularWeight: 374.319903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])F

InChI

InChI=1S/C18H15FN2O6/c1-26-16-7-5-12(9-15(16)19)6-8-18(23)27-11-17(22)20-13-3-2-4-14(10-13)21(24)25/h2-10H,11H2,1H3,(H,20,22)/b8-6+