[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H21FN2O7 MolecularWeight: 420.388343

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H21FN2O7/c1-3-9-29-17-8-5-13(10-18(17)28-4-2)20(25)30-12-19(24)22-14-6-7-15(21)16(11-14)23(26)27/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,22,24)