2-[[(3R)-3-methyl-4-nitro-butyl]-(phenylmethyl)amino]ethanal

Systemtic Name: 2-[[(3R)-3-methyl-4-nitro-butyl]-(phenylmethyl)amino]ethanal Openeye Name: 2-[benzyl-[(3R)-3-methyl-4-nitro-butyl]amino]acetaldehyde CAS Name: 2-[[(3R)-3-methyl-4-nitrobutyl]-(phenylmethyl)amino]acetaldehyde IUPAC Name: 2-[benzyl-[(3R)-3-methyl-4-nitrobutyl]amino]acetaldehyde Traditional Name: 2-[benzyl-[(3R)-3-methyl-4-nitro-butyl]amino]acetaldehyde Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](CCN(CC=O)CC1=CC=CC=C1)C[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-13(11-16(18)19)7-8-15(9-10-17)12-14-5-3-2-4-6-14/h2-6,10,13H,7-9,11-12H2,1H3/t13-/m1/s1