1-methyl-3-[(2S)-1-nitroheptan-2-yl]indole

Systemtic Name: 1-methyl-3-[(2S)-1-nitroheptan-2-yl]indole Openeye Name: 1-methyl-3-[(1S)-1-(nitromethyl)hexyl]indole CAS Name: 1-methyl-3-[(2S)-1-nitroheptan-2-yl]indole IUPAC Name: 1-methyl-3-[(2S)-1-nitroheptan-2-yl]indole Traditional Name: 1-methyl-3-[(1S)-1-(nitromethyl)hexyl]indole Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[N+](=O)[O-])C1=CN(C2=CC=CC=C21)C

Isomeric SMILES

CCCCC[C@H](C[N+](=O)[O-])C1=CN(C2=CC=CC=C21)C

InChI

InChI=1S/C16H22N2O2/c1-3-4-5-8-13(11-18(19)20)15-12-17(2)16-10-7-6-9-14(15)16/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3/t13-/m1/s1