[(1R,4R)-4-phenylmethoxycyclohex-2-en-1-yl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,4R)-4-phenylmethoxycyclohex-2-en-1-yl] 3,5-dinitrobenzoate Openeye Name: [(1R,4R)-4-benzyloxycyclohex-2-en-1-yl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,4R)-4-phenylmethoxy-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,4R)-4-phenylmethoxycyclohex-2-en-1-yl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,4R)-4-benzoxycyclohex-2-en-1-yl] ester Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=CC1OCC2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C[C@H](C=C[C@@H]1OCC2=CC=CC=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c23-20(15-10-16(21(24)25)12-17(11-15)22(26)27)29-19-8-6-18(7-9-19)28-13-14-4-2-1-3-5-14/h1-6,8,10-12,18-19H,7,9,13H2/t18-,19-/m0/s1