quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate

Systemtic Name: quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate Openeye Name: 8-quinolyl 2-(4-nitrophenyl)sulfanylbenzoate CAS Name: 2-[(4-nitrophenyl)thio]benzoic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-(4-nitrophenyl)sulfanylbenzoate Traditional Name: 2-[(4-nitrophenyl)thio]benzoic acid 8-quinolyl ester Formula: C22H14N2O4S MolecularWeight: 402.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OC2=CC=CC3=C2N=CC=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O4S/c25-22(28-19-8-3-5-15-6-4-14-23-21(15)19)18-7-1-2-9-20(18)29-17-12-10-16(11-13-17)24(26)27/h1-14H