[4-(4-nitrophenyl)sulfanylphenyl]methyl 2-oxidanylidenechromene-3-carboxylate

Systemtic Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-oxidanylidenechromene-3-carboxylate Openeye Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-oxochromene-3-carboxylate CAS Name: 2-oxo-1-benzopyran-3-carboxylic acid [4-[(4-nitrophenyl)thio]phenyl]methyl ester IUPAC Name: [4-(4-nitrophenyl)sulfanylphenyl]methyl 2-oxochromene-3-carboxylate Traditional Name: 2-ketochromene-3-carboxylic acid [4-[(4-nitrophenyl)thio]benzyl] ester Formula: C23H15NO6S MolecularWeight: 433.4333

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15NO6S/c25-22(20-13-16-3-1-2-4-21(16)30-23(20)26)29-14-15-5-9-18(10-6-15)31-19-11-7-17(8-12-19)24(27)28/h1-13H,14H2