(1-ethanoyl-4-methyl-cyclohex-3-en-1-yl) 4-nitrobenzoate

Systemtic Name: (1-ethanoyl-4-methyl-cyclohex-3-en-1-yl) 4-nitrobenzoate Openeye Name: (1-acetyl-4-methyl-cyclohex-3-en-1-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (1-acetyl-4-methyl-1-cyclohex-3-enyl) ester IUPAC Name: (1-acetyl-4-methylcyclohex-3-en-1-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (1-acetyl-4-methyl-cyclohex-3-en-1-yl) ester Formula: C16H17NO5 MolecularWeight: 303.30988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5/c1-11-7-9-16(10-8-11,12(2)18)22-15(19)13-3-5-14(6-4-13)17(20)21/h3-7H,8-10H2,1-2H3