4-nitrobutyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: 4-nitrobutyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: 4-nitrobutyl (2S)-2-(6-methoxy-2-naphthyl)propanoate CAS Name: (2S)-2-(6-methoxy-2-naphthalenyl)propanoic acid 4-nitrobutyl ester IUPAC Name: 4-nitrobutyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: (2S)-2-(6-methoxy-2-naphthyl)propionic acid 4-nitrobutyl ester Formula: C18H21NO5 MolecularWeight: 331.36304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCC[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCCCC[N+](=O)[O-]

InChI

InChI=1S/C18H21NO5/c1-13(18(20)24-10-4-3-9-19(21)22)14-5-6-16-12-17(23-2)8-7-15(16)11-14/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1