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

Systemtic Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[ethyl-(3-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C19H19FN2O5 MolecularWeight: 374.362963

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O5/c1-3-21(11-14-5-4-6-16(20)10-14)18(23)12-27-19(24)15-7-8-17(22(25)26)13(2)9-15/h4-10H,3,11-12H2,1-2H3