2-[(6-nitro-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(6-nitro-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]ethanoate Openeye Name: 2-[(6-nitro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetate CAS Name: 2-[(6-nitro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]acetate IUPAC Name: 2-[(6-nitro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetate Traditional Name: 2-[(2-keto-6-nitro-4-phenyl-1H-quinolin-3-yl)thio]acetate Formula: C17H11N2O5S- MolecularWeight: 355.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C17H12N2O5S/c20-14(21)9-25-16-15(10-4-2-1-3-5-10)12-8-11(19(23)24)6-7-13(12)18-17(16)22/h1-8H,9H2,(H,18,22)(H,20,21)/p-1