2-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-(5-bromo-2-methoxy-benzyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H11BrN2O5 MolecularWeight: 391.17294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O5/c1-24-13-6-5-10(17)7-9(13)8-18-15(20)11-3-2-4-12(19(22)23)14(11)16(18)21/h2-7H,8H2,1H3