ethyl 2-[(7-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(7-nitro-2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(7-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]acetate CAS Name: 2-[(7-nitro-2-oxo-1H-quinolin-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-nitro-2-oxo-1H-quinolin-3-yl)sulfanyl]acetate Traditional Name: 2-[(2-keto-7-nitro-1H-quinolin-3-yl)thio]acetic acid ethyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O

Isomeric SMILES

CCOC(=O)CSC1=CC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C13H12N2O5S/c1-2-20-12(16)7-21-11-5-8-3-4-9(15(18)19)6-10(8)14-13(11)17/h3-6H,2,7H2,1H3,(H,14,17)