ethyl 6-azido-2-methyl-5-oxidanyl-3-oxidanylidene-5-phenyl-heptanoate

Systemtic Name: ethyl 6-azido-2-methyl-5-oxidanyl-3-oxidanylidene-5-phenyl-heptanoate Openeye Name: ethyl 6-azido-5-hydroxy-2-methyl-3-oxo-5-phenyl-heptanoate CAS Name: 6-azido-5-hydroxy-2-methyl-3-oxo-5-phenylheptanoic acid ethyl ester IUPAC Name: ethyl 6-azido-5-hydroxy-2-methyl-3-oxo-5-phenylheptanoate Traditional Name: 6-azido-5-hydroxy-3-keto-2-methyl-5-phenyl-enanthic acid ethyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4/c1-4-23-15(21)11(2)14(20)10-16(22,12(3)18-19-17)13-8-6-5-7-9-13/h5-9,11-12,22H,4,10H2,1-3H3