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methyl 2-(4-nitro-1-oxidanyl-4-propan-2-yl-cyclohexa-2,5-dien-1-yl)ethanoate

methyl 2-(4-nitro-1-oxidanyl-4-propan-2-yl-cyclohexa-2,5-dien-1-yl)ethanoate

Systemtic Name:methyl 2-(4-nitro-1-oxidanyl-4-propan-2-yl-cyclohexa-2,5-dien-1-yl)ethanoate
Openeye Name:methyl 2-(1-hydroxy-4-isopropyl-4-nitro-cyclohexa-2,5-dien-1-yl)acetate
CAS Name:2-(1-hydroxy-4-nitro-4-propan-2-yl-1-cyclohexa-2,5-dienyl)acetic acid methyl ester
IUPAC Name:methyl 2-(1-hydroxy-4-nitro-4-propan-2-ylcyclohexa-2,5-dien-1-yl)acetate
Traditional Name:2-(1-hydroxy-4-isopropyl-4-nitro-cyclohexa-2,5-dien-1-yl)acetic acid methyl ester
Formula: C12H17NO5
MolecularWeight: 255.26708
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H17NO5/c1-9(2)12(13(16)17)6-4-11(15,5-7-12)8-10(14)18-3/h4-7,9,15H,8H2,1-3H3


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