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

Systemtic Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[cyclohexyl-(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H23FN2O5 MolecularWeight: 414.426823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23FN2O5/c23-18-11-9-16(10-12-18)14-24(19-6-2-1-3-7-19)21(26)15-30-22(27)17-5-4-8-20(13-17)25(28)29/h4-5,8-13,19H,1-3,6-7,14-15H2