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

Systemtic Name: [(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]decan-4-yl] 4-nitrobenzoate Openeye Name: [(1S)-1-[3-(benzylamino)-3-oxo-propyl]heptyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S)-1-oxo-1-[(phenylmethyl)amino]decan-4-yl] ester IUPAC Name: [(4S)-1-(benzylamino)-1-oxodecan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[3-(benzylamino)-3-keto-propyl]heptyl] ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5/c1-2-3-4-8-11-22(16-17-23(27)25-18-19-9-6-5-7-10-19)31-24(28)20-12-14-21(15-13-20)26(29)30/h5-7,9-10,12-15,22H,2-4,8,11,16-18H2,1H3,(H,25,27)/t22-/m0/s1