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

Systemtic Name: 4-[[2-bromanyl-4-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-bromo-4-[(E)-2-cyano-3-(2-naphthylamino)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[2-bromo-4-[(E)-2-cyano-3-(2-naphthalenylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-bromo-4-[(E)-2-cyano-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-bromo-4-[(E)-2-cyano-3-keto-3-(2-naphthylamino)prop-1-enyl]phenoxy]methyl]benzoic acid Formula: C28H19BrN2O4 MolecularWeight: 527.36546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)Br)C#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)Br)/C#N

InChI

InChI=1S/C28H19BrN2O4/c29-25-14-19(7-12-26(25)35-17-18-5-8-21(9-6-18)28(33)34)13-23(16-30)27(32)31-24-11-10-20-3-1-2-4-22(20)15-24/h1-15H,17H2,(H,31,32)(H,33,34)/b23-13+