methyl 3-(3,5-ditert-butyl-4-methoxy-phenyl)-4-nitro-butanoate

Systemtic Name: methyl 3-(3,5-ditert-butyl-4-methoxy-phenyl)-4-nitro-butanoate Openeye Name: methyl 3-(3,5-ditert-butyl-4-methoxy-phenyl)-4-nitro-butanoate CAS Name: 3-(3,5-ditert-butyl-4-methoxyphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(3,5-ditert-butyl-4-methoxyphenyl)-4-nitrobutanoate Traditional Name: 3-(3,5-ditert-butyl-4-methoxy-phenyl)-4-nitro-butyric acid methyl ester Formula: C20H31NO5 MolecularWeight: 365.46384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(CC(=O)OC)C[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C(CC(=O)OC)C[N+](=O)[O-]

InChI

InChI=1S/C20H31NO5/c1-19(2,3)15-9-13(10-16(18(15)26-8)20(4,5)6)14(12-21(23)24)11-17(22)25-7/h9-10,14H,11-12H2,1-8H3