2-[3-(12-bromanyldodecyl)-2-nitro-phenyl]ethanoate

Systemtic Name: 2-[3-(12-bromanyldodecyl)-2-nitro-phenyl]ethanoate Openeye Name: 2-[3-(12-bromododecyl)-2-nitro-phenyl]acetate CAS Name: 2-[3-(12-bromododecyl)-2-nitrophenyl]acetate IUPAC Name: 2-[3-(12-bromododecyl)-2-nitrophenyl]acetate Traditional Name: 2-[3-(12-bromododecyl)-2-nitro-phenyl]acetate Formula: C20H29BrNO4- MolecularWeight: 427.35256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCCCCCCCCCCBr)[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)CCCCCCCCCCCCBr)[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C20H30BrNO4/c21-15-10-8-6-4-2-1-3-5-7-9-12-17-13-11-14-18(16-19(23)24)20(17)22(25)26/h11,13-14H,1-10,12,15-16H2,(H,23,24)/p-1