[(9E)-7,7,10-trimethylcycloundec-9-en-2-yn-1-yl] 4-nitrobenzoate

Systemtic Name: [(9E)-7,7,10-trimethylcycloundec-9-en-2-yn-1-yl] 4-nitrobenzoate Openeye Name: [(9E)-7,7,10-trimethylcycloundec-9-en-2-yn-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(9E)-7,7,10-trimethyl-1-cycloundec-9-en-2-ynyl] ester IUPAC Name: [(9E)-7,7,10-trimethylcycloundec-9-en-2-yn-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(9E)-7,7,10-trimethylcycloundec-9-en-2-yn-1-yl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CCCC#CC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

Isomeric SMILES

C/C/1=C\CC(CCCC#CC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

InChI

InChI=1S/C21H25NO4/c1-16-12-14-21(2,3)13-6-4-5-7-19(15-16)26-20(23)17-8-10-18(11-9-17)22(24)25/h8-12,19H,4,6,13-15H2,1-3H3/b16-12+