(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitro-benzoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitro-benzoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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