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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-2-propan-2-yl-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-yl-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-2-propan-2-ylchromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-2-isopropyl-4-keto-chromen-7-yl] ester Formula: C26H18N2O6S MolecularWeight: 486.49592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18N2O6S/c1-14(2)24-22(25-27-19-8-3-4-9-21(19)35-25)23(29)18-11-10-17(13-20(18)34-24)33-26(30)15-6-5-7-16(12-15)28(31)32/h3-14H,1-2H3