2-[5-nitropentan-2-yl-(phenylmethyl)amino]ethanal

Systemtic Name: 2-[5-nitropentan-2-yl-(phenylmethyl)amino]ethanal Openeye Name: 2-[benzyl-(1-methyl-4-nitro-butyl)amino]acetaldehyde CAS Name: 2-[5-nitropentan-2-yl-(phenylmethyl)amino]acetaldehyde IUPAC Name: 2-[benzyl(5-nitropentan-2-yl)amino]acetaldehyde Traditional Name: 2-[benzyl-(1-methyl-4-nitro-butyl)amino]acetaldehyde Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC[N+](=O)[O-])N(CC=O)CC1=CC=CC=C1

Isomeric SMILES

CC(CCC[N+](=O)[O-])N(CC=O)CC1=CC=CC=C1

InChI

InChI=1S/C14H20N2O3/c1-13(6-5-9-16(18)19)15(10-11-17)12-14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3