(1-ethanoyl-2,2,4-trimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate

Systemtic Name: (1-ethanoyl-2,2,4-trimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate Openeye Name: (1-acetyl-2,2,4-trimethyl-cyclohex-3-en-1-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-acetyl-2,2,4-trimethyl-1-cyclohex-3-enyl) ester IUPAC Name: (1-acetyl-2,2,4-trimethylcyclohex-3-en-1-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-acetyl-2,2,4-trimethyl-cyclohex-3-en-1-yl) ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO5/c1-12-9-10-18(13(2)20,17(3,4)11-12)24-16(21)14-5-7-15(8-6-14)19(22)23/h5-8,11H,9-10H2,1-4H3