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

Systemtic Name: [(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]undecan-4-yl] 4-nitrobenzoate Openeye Name: [(1S)-1-[3-(benzylamino)-3-oxo-propyl]octyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S)-1-oxo-1-[(phenylmethyl)amino]undecan-4-yl] ester IUPAC Name: [(4S)-1-(benzylamino)-1-oxoundecan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[3-(benzylamino)-3-keto-propyl]octyl] ester Formula: C25H32N2O5 MolecularWeight: 440.53198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O5/c1-2-3-4-5-9-12-23(17-18-24(28)26-19-20-10-7-6-8-11-20)32-25(29)21-13-15-22(16-14-21)27(30)31/h6-8,10-11,13-16,23H,2-5,9,12,17-19H2,1H3,(H,26,28)/t23-/m0/s1