(3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-nitro-butanal

Systemtic Name: (3S)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4-nitro-butanal Openeye Name: (3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-nitro-butanal CAS Name: (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-nitrobutanal IUPAC Name: (3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-nitrobutanal Traditional Name: (3S)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-nitro-butyraldehyde Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC=O)C[N+](=O)[O-])OC2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC=O)C[N+](=O)[O-])OC2CCCC2

InChI

InChI=1S/C16H21NO5/c1-21-15-7-6-12(13(8-9-18)11-17(19)20)10-16(15)22-14-4-2-3-5-14/h6-7,9-10,13-14H,2-5,8,11H2,1H3/t13-/m1/s1