[(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]nonan-4-yl] 4-nitrobenzoate

Systemtic Name: [(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]nonan-4-yl] 4-nitrobenzoate Openeye Name: [(1S)-1-[3-(benzylamino)-3-oxo-propyl]hexyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S)-1-oxo-1-[(phenylmethyl)amino]nonan-4-yl] ester IUPAC Name: [(4S)-1-(benzylamino)-1-oxononan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[3-(benzylamino)-3-keto-propyl]hexyl] ester Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@@H](CCC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O5/c1-2-3-5-10-21(15-16-22(26)24-17-18-8-6-4-7-9-18)30-23(27)19-11-13-20(14-12-19)25(28)29/h4,6-9,11-14,21H,2-3,5,10,15-17H2,1H3,(H,24,26)/t21-/m0/s1