[4-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 3-bromanylbenzoate

Systemtic Name: [4-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 3-bromanylbenzoate Openeye Name: [4-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [4-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [4-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] ester Formula: C29H21BrN2O4 MolecularWeight: 541.39204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC(=CC=C5)Br)N2

InChI

InChI=1S/C29H21BrN2O4/c1-2-18-8-13-27-25(14-18)32-28(36-27)24-16-22(9-12-26(24)33)31-17-19-6-10-23(11-7-19)35-29(34)20-4-3-5-21(30)15-20/h3-17,32H,2H2,1H3