[3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxidanylidene-chromen-7-yl] 4-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-chromen-7-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-8-methyl-4-oxochromen-7-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-8-methyl-chromen-7-yl] ester Formula: C24H14N2O6S MolecularWeight: 458.44276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC=C(C2=O)C3=NC4=CC=CC=C4S3)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H14N2O6S/c1-13-19(32-24(28)14-6-8-15(9-7-14)26(29)30)11-10-16-21(27)17(12-31-22(13)16)23-25-18-4-2-3-5-20(18)33-23/h2-12H,1H3