cyclododeca-2,5,9-trien-1-ylmethyl 4-nitrobenzoate

Systemtic Name: cyclododeca-2,5,9-trien-1-ylmethyl 4-nitrobenzoate Openeye Name: cyclododeca-2,5,9-trien-1-ylmethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1-cyclododeca-2,5,9-trienylmethyl ester IUPAC Name: cyclododeca-2,5,9-trien-1-ylmethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid cyclododeca-2,5,9-trien-1-ylmethyl ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=CCC=CC(CCC=C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC=CCC=CC(CCC=C1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23NO4/c22-20(18-12-14-19(15-13-18)21(23)24)25-16-17-10-8-6-4-2-1-3-5-7-9-11-17/h2,4-5,7-8,10,12-15,17H,1,3,6,9,11,16H2