[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [2-[ethyl-(3-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23FN2O7 MolecularWeight: 434.414923

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OCC

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OCC

InChI

InChI=1S/C21H23FN2O7/c1-4-23(12-14-7-6-8-15(22)9-14)20(25)13-31-21(26)16-10-19(30-5-2)18(29-3)11-17(16)24(27)28/h6-11H,4-5,12-13H2,1-3H3