2-(4-bromanyl-2-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-(4-bromo-2-methyl-phenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(4-bromo-2-methylphenyl)-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-(4-bromo-2-methylphenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-(4-bromo-2-methyl-phenyl)-1,3-diketo-isoindoline-5-carboxylate Formula: C16H9BrNO4- MolecularWeight: 359.15096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H10BrNO4/c1-8-6-10(17)3-5-13(8)18-14(19)11-4-2-9(16(21)22)7-12(11)15(18)20/h2-7H,1H3,(H,21,22)/p-1