(4-nitrophenyl)methyl 4-methyl-3-oxidanylidene-5-phenylmethoxy-pentanoate

Systemtic Name: (4-nitrophenyl)methyl 4-methyl-3-oxidanylidene-5-phenylmethoxy-pentanoate Openeye Name: (4-nitrophenyl)methyl 5-benzyloxy-4-methyl-3-oxo-pentanoate CAS Name: 4-methyl-3-oxo-5-phenylmethoxypentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methyl-3-oxo-5-phenylmethoxypentanoate Traditional Name: 5-benzoxy-3-keto-4-methyl-valeric acid (4-nitrobenzyl) ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(COCC1=CC=CC=C1)C(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-15(12-26-13-16-5-3-2-4-6-16)19(22)11-20(23)27-14-17-7-9-18(10-8-17)21(24)25/h2-10,15H,11-14H2,1H3