4-[(Z)-2-[3-bromanyl-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-[3-bromanyl-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[(Z)-2-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-[3-bromo-4-[(3-nitrophenyl)methoxy]phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[(Z)-2-[3-bromo-4-(3-nitrobenzyl)oxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C23H15BrN2O5 MolecularWeight: 479.2796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)/C=C(\C#N)/C3=CC=C(C=C3)C(=O)O)Br

InChI

InChI=1S/C23H15BrN2O5/c24-21-12-15(10-19(13-25)17-5-7-18(8-6-17)23(27)28)4-9-22(21)31-14-16-2-1-3-20(11-16)26(29)30/h1-12H,14H2,(H,27,28)/b19-10+