[4-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[[3-(6-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-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[3-(6-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-(6-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=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br)O2

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br)O2

InChI

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