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

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C17H15FN2O5 MolecularWeight: 346.309803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN2O5/c1-19(10-12-3-2-4-14(18)9-12)16(21)11-25-17(22)13-5-7-15(8-6-13)20(23)24/h2-9H,10-11H2,1H3