2-[5-bromanyl-4-methoxy-2-(4-nitrophenyl)carbonyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-4-methoxy-2-(4-nitrophenyl)carbonyl-phenyl]ethanoic acid Openeye Name: 2-[5-bromo-4-methoxy-2-(4-nitrobenzoyl)phenyl]acetic acid CAS Name: 2-[5-bromo-4-methoxy-2-[(4-nitrophenyl)-oxomethyl]phenyl]acetic acid IUPAC Name: 2-[5-bromo-4-methoxy-2-(4-nitrobenzoyl)phenyl]acetic acid Traditional Name: 2-[5-bromo-4-methoxy-2-(4-nitrobenzoyl)phenyl]acetic acid Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNO6/c1-24-14-8-12(10(6-13(14)17)7-15(19)20)16(21)9-2-4-11(5-3-9)18(22)23/h2-6,8H,7H2,1H3,(H,19,20)