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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-2,8-dimethyl-4-oxochromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-2,8-dimethyl-chromen-7-yl] ester Formula: C25H16N2O6S MolecularWeight: 472.46934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H16N2O6S/c1-13-19(33-25(29)15-6-5-7-16(12-15)27(30)31)11-10-17-22(28)21(14(2)32-23(13)17)24-26-18-8-3-4-9-20(18)34-24/h3-12H,1-2H3