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

Systemtic Name: [(4S)-1-oxidanylidene-1-[(phenylmethyl)amino]dodecan-4-yl] 4-nitrobenzoate Openeye Name: [(1S)-1-[3-(benzylamino)-3-oxo-propyl]nonyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(4S)-1-oxo-1-[(phenylmethyl)amino]dodecan-4-yl] ester IUPAC Name: [(4S)-1-(benzylamino)-1-oxododecan-4-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[3-(benzylamino)-3-keto-propyl]nonyl] ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5/c1-2-3-4-5-6-10-13-24(18-19-25(29)27-20-21-11-8-7-9-12-21)33-26(30)22-14-16-23(17-15-22)28(31)32/h7-9,11-12,14-17,24H,2-6,10,13,18-20H2,1H3,(H,27,29)/t24-/m0/s1