[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [2-(2-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C19H19FN2O7 MolecularWeight: 406.361763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)C)F)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=C(C=C(C=C2)C)F)OC

InChI

InChI=1S/C19H19FN2O7/c1-4-28-17-9-15(22(25)26)12(8-16(17)27-3)19(24)29-10-18(23)21-14-6-5-11(2)7-13(14)20/h5-9H,4,10H2,1-3H3,(H,21,23)