(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO6/c1-9-4-10(2-3-13(9)18(20)21)16(19)22-7-11-5-14-15(6-12(11)17)24-8-23-14/h2-6H,7-8H2,1H3