4-[[2-bromanyl-4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-bromanyl-4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[(E)-2-cyano-3-(3-nitrophenyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[(E)-2-cyano-3-keto-3-(3-nitrophenyl)prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C24H15BrN2O6 MolecularWeight: 507.2897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)/C(=C/C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Br)/C#N

InChI

InChI=1S/C24H15BrN2O6/c25-21-11-16(6-9-22(21)33-14-15-4-7-17(8-5-15)24(29)30)10-19(13-26)23(28)18-2-1-3-20(12-18)27(31)32/h1-12H,14H2,(H,29,30)/b19-10+