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

Systemtic Name: [3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-chromen-7-yl] 3-nitrobenzoate Openeye Name: [3-(1,3-benzothiazol-2-yl)-4-oxo-chromen-7-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(1,3-benzothiazol-2-yl)-4-keto-chromen-7-yl] ester Formula: C23H12N2O6S MolecularWeight: 444.41618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=COC4=C(C3=O)C=CC(=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H12N2O6S/c26-21-16-9-8-15(31-23(27)13-4-3-5-14(10-13)25(28)29)11-19(16)30-12-17(21)22-24-18-6-1-2-7-20(18)32-22/h1-12H