2-(3-bromanyl-4-methoxy-phenyl)-3-(4-nitrophenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(3-bromanyl-4-methoxy-phenyl)-3-(4-nitrophenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-(3-bromo-4-methoxy-phenyl)-3-(4-nitrophenyl)-3-oxo-propanoic acid CAS Name: 2-(3-bromo-4-methoxyphenyl)-3-(4-nitrophenyl)-3-oxopropanoic acid IUPAC Name: 2-(3-bromo-4-methoxyphenyl)-3-(4-nitrophenyl)-3-oxopropanoic acid Traditional Name: 2-(3-bromo-4-methoxy-phenyl)-3-keto-3-(4-nitrophenyl)propionic acid Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6/c1-24-13-7-4-10(8-12(13)17)14(16(20)21)15(19)9-2-5-11(6-3-9)18(22)23/h2-8,14H,1H3,(H,20,21)