3-bromanyl-2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 3-bromanyl-2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenyl-butanoic acid CAS Name: 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: 3-bromo-2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid Traditional Name: 3-bromo-4-keto-2-[nitro(phenyl)methyl]-4-phenyl-butyric acid Formula: C17H14BrNO5 MolecularWeight: 392.20076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrNO5/c18-14(16(20)12-9-5-2-6-10-12)13(17(21)22)15(19(23)24)11-7-3-1-4-8-11/h1-10,13-15H,(H,21,22)