[(E,2S)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl] 4-nitrobenzoate

Systemtic Name: [(E,2S)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl] 4-nitrobenzoate Openeye Name: [(E,1S)-1-methyl-3-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]allyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(E,2S)-4-[(1S)-2,6,6-trimethyl-1-cyclohex-2-enyl]but-3-en-2-yl] ester IUPAC Name: [(E,2S)-4-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]but-3-en-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(E,1S)-1-methyl-3-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]allyl] ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(C1C=CC(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CCCC([C@@H]1/C=C/[C@H](C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C)C

InChI

InChI=1S/C20H25NO4/c1-14-6-5-13-20(3,4)18(14)12-7-15(2)25-19(22)16-8-10-17(11-9-16)21(23)24/h6-12,15,18H,5,13H2,1-4H3/b12-7+/t15-,18+/m0/s1