ethyl 4-[2-methyl-4-(4-nitrophenyl)phenyl]-4-oxidanylidene-2-phenethyl-butanoate

Systemtic Name: ethyl 4-[2-methyl-4-(4-nitrophenyl)phenyl]-4-oxidanylidene-2-phenethyl-butanoate Openeye Name: ethyl 4-[2-methyl-4-(4-nitrophenyl)phenyl]-4-oxo-2-phenethyl-butanoate CAS Name: 4-[2-methyl-4-(4-nitrophenyl)phenyl]-4-oxo-2-phenethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[2-methyl-4-(4-nitrophenyl)phenyl]-4-oxo-2-phenethylbutanoate Traditional Name: 4-keto-4-[2-methyl-4-(4-nitrophenyl)phenyl]-2-phenethyl-butyric acid ethyl ester Formula: C27H27NO5 MolecularWeight: 445.50698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)CC(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)CC(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C27H27NO5/c1-3-33-27(30)23(10-9-20-7-5-4-6-8-20)18-26(29)25-16-13-22(17-19(25)2)21-11-14-24(15-12-21)28(31)32/h4-8,11-17,23H,3,9-10,18H2,1-2H3