[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 1-(4-fluorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-fluorophenyl)-1-cyclobutanecarboxylic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 1-(4-fluorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-fluorophenyl)cyclobutanecarboxylic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C20H19FN2O6 MolecularWeight: 402.373063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2(CCC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2(CCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O6/c1-28-17-11-15(23(26)27)7-8-16(17)22-18(24)12-29-19(25)20(9-2-10-20)13-3-5-14(21)6-4-13/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)