(1-ethanoyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate

Systemtic Name: (1-ethanoyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate Openeye Name: (1-acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-acetyl-3,4-dimethyl-1-cyclohex-3-enyl) ester IUPAC Name: (1-acetyl-3,4-dimethylcyclohex-3-en-1-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-acetyl-3,4-dimethyl-cyclohex-3-en-1-yl) ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(CC1)(C(=O)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(CC(CC1)(C(=O)C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H19NO5/c1-11-8-9-17(13(3)19,10-12(11)2)23-16(20)14-4-6-15(7-5-14)18(21)22/h4-7H,8-10H2,1-3H3