[4-(4-decoxyphenyl)phenyl] 2-(bromomethyl)-4-methyl-5-nitro-benzoate

Systemtic Name: [4-(4-decoxyphenyl)phenyl] 2-(bromomethyl)-4-methyl-5-nitro-benzoate Openeye Name: [4-(4-decoxyphenyl)phenyl] 2-(bromomethyl)-4-methyl-5-nitro-benzoate CAS Name: 2-(bromomethyl)-4-methyl-5-nitrobenzoic acid [4-(4-decoxyphenyl)phenyl] ester IUPAC Name: [4-(4-decoxyphenyl)phenyl] 2-(bromomethyl)-4-methyl-5-nitrobenzoate Traditional Name: 2-(bromomethyl)-4-methyl-5-nitro-benzoic acid [4-(4-decoxyphenyl)phenyl] ester Formula: C31H36BrNO5 MolecularWeight: 582.52524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3CBr)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3CBr)C)[N+](=O)[O-]

InChI

InChI=1S/C31H36BrNO5/c1-3-4-5-6-7-8-9-10-19-37-27-15-11-24(12-16-27)25-13-17-28(18-14-25)38-31(34)29-21-30(33(35)36)23(2)20-26(29)22-32/h11-18,20-21H,3-10,19,22H2,1-2H3