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methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-octanoate

methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-octanoate

Systemtic Name:methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxidanylidene-octanoate
Openeye Name:methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxo-octanoate
CAS Name:2-methyl-2-[(2-nitrophenyl)methyl]-3-oxooctanoic acid methyl ester
IUPAC Name:methyl 2-methyl-2-[(2-nitrophenyl)methyl]-3-oxooctanoate
Traditional Name:3-keto-2-methyl-2-(2-nitrobenzyl)caprylic acid methyl ester
Formula: C17H23NO5
MolecularWeight: 321.36822
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H23NO5/c1-4-5-6-11-15(19)17(2,16(20)23-3)12-13-9-7-8-10-14(13)18(21)22/h7-10H,4-6,11-12H2,1-3H3


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