(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-nitrobenzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-nitrobenzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrNO6/c17-13-8-15-14(22-4-5-23-15)7-11(13)9-24-16(19)10-2-1-3-12(6-10)18(20)21/h1-3,6-8H,4-5,9H2