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

Systemtic Name: [4-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-iodanylbenzoate Openeye Name: [4-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [4-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [4-[[3-keto-4-(5-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]iminomethyl]phenyl] ester Formula: C28H19IN2O4 MolecularWeight: 574.36593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)I)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C3C=CC(=CC3=O)N=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)I)N2

InChI

InChI=1S/C28H19IN2O4/c1-17-2-13-26-24(14-17)31-27(35-26)23-12-9-21(15-25(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