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

Systemtic Name: [4-[[3-(4-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[[3-(4-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[[3-(4-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[3-(4-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[[4-keto-3-(4-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] ester Formula: C28H19BrN2O4 MolecularWeight: 527.36546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=C3C=C(C=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br)N2

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=C3C=C(C=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br)N2

InChI

InChI=1S/C28H19BrN2O4/c1-17-3-2-4-25-26(17)31-27(35-25)23-15-21(11-14-24(23)32)30-16-18-5-12-22(13-6-18)34-28(33)19-7-9-20(29)10-8-19/h2-16,31H,1H3