2-(4-bromanyl-2,5-dimethyl-phenyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-bromo-2,5-dimethylphenyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(4-bromo-2,5-dimethyl-phenyl)-4-nitro-isoindoline-1,3-quinone Formula: C16H11BrN2O4 MolecularWeight: 375.17354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O4/c1-8-7-13(9(2)6-11(8)17)18-15(20)10-4-3-5-12(19(22)23)14(10)16(18)21/h3-7H,1-2H3