4-(4-bromophenyl)-2-methyl-4-oxidanylidene-butanoic acid; 6-nitro-1H-benzimidazole

Systemtic Name: 4-(4-bromophenyl)-2-methyl-4-oxidanylidene-butanoic acid; 6-nitro-1H-benzimidazole Openeye Name: 4-(4-bromophenyl)-2-methyl-4-oxo-butanoic acid; 6-nitro-1H-benzimidazole CAS Name: 4-(4-bromophenyl)-2-methyl-4-oxobutanoic acid; 6-nitro-1H-benzimidazole IUPAC Name: 4-(4-bromophenyl)-2-methyl-4-oxobutanoic acid; 6-nitro-1H-benzimidazole Traditional Name: 4-(4-bromophenyl)-4-keto-2-methyl-butyric acid; 6-nitro-1H-benzimidazole Formula: C18H16BrN3O5 MolecularWeight: 434.24074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O.C1=CC2=C(C=C1[N+](=O)[O-])NC=N2

Isomeric SMILES

CC(CC(=O)C1=CC=C(C=C1)Br)C(=O)O.C1=CC2=C(C=C1[N+](=O)[O-])NC=N2

InChI

InChI=1S/C11H11BrO3.C7H5N3O2/c1-7(11(14)15)6-10(13)8-2-4-9(12)5-3-8;11-10(12)5-1-2-6-7(3-5)9-4-8-6/h2-5,7H,6H2,1H3,(H,14,15);1-4H,(H,8,9)