3-[(E)-2-[3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium-2-yl]ethenyl]chromen-4-one

Systemtic Name: 3-[(E)-2-[3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium-2-yl]ethenyl]chromen-4-one Openeye Name: 3-[(E)-2-[3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium-2-yl]vinyl]chromen-4-one CAS Name: 3-[(E)-2-[3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium-2-yl]ethenyl]-1-benzopyran-4-one IUPAC Name: 3-[(E)-2-[3-[(4-nitrophenyl)methyl]-1,3-benzothiazol-3-ium-2-yl]ethenyl]chromen-4-one Traditional Name: 3-[(E)-2-[3-(4-nitrobenzyl)-1,3-benzothiazol-3-ium-2-yl]vinyl]chromone Formula: C25H17N2O4S+ MolecularWeight: 441.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CO2)C=CC3=[N+](C4=CC=CC=C4S3)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)/C=C/C3=[N+](C4=CC=CC=C4S3)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N2O4S/c28-25-18(16-31-22-7-3-1-5-20(22)25)11-14-24-26(21-6-2-4-8-23(21)32-24)15-17-9-12-19(13-10-17)27(29)30/h1-14,16H,15H2/q+1/b14-11+