methyl 2,4,4-trimethyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-pentanoate

Systemtic Name: methyl 2,4,4-trimethyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-pentanoate Openeye Name: methyl 2,4,4-trimethyl-2-[(2-nitrophenyl)methyl]-3-oxo-pentanoate CAS Name: 2,4,4-trimethyl-2-[(2-nitrophenyl)methyl]-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2,4,4-trimethyl-2-[(2-nitrophenyl)methyl]-3-oxopentanoate Traditional Name: 3-keto-2,4,4-trimethyl-2-(2-nitrobenzyl)valeric acid methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)C(C)(CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC

InChI

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