[(1R,2S)-3-bromanyl-2-prop-2-enoxy-cyclohex-3-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1R,2S)-3-bromanyl-2-prop-2-enoxy-cyclohex-3-en-1-yl] 4-nitrobenzoate Openeye Name: [(1R,2S)-2-allyloxy-3-bromo-cyclohex-3-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,2S)-3-bromo-2-prop-2-enoxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1R,2S)-3-bromo-2-prop-2-enoxycyclohex-3-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,2S)-2-allyloxy-3-bromo-cyclohex-3-en-1-yl] ester Formula: C16H16BrNO5 MolecularWeight: 382.20594

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(CCC=C1Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C=CCO[C@H]1[C@@H](CCC=C1Br)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16BrNO5/c1-2-10-22-15-13(17)4-3-5-14(15)23-16(19)11-6-8-12(9-7-11)18(20)21/h2,4,6-9,14-15H,1,3,5,10H2/t14-,15-/m1/s1