1-[2-(4-nitrophenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(4-nitrophenyl)thio]-1-oxopropyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(4-nitrophenyl)sulfanylpropanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(4-nitrophenyl)thio]propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC2=C(C=CC=C21)C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC2=C(C=CC=C21)C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c1-12(27-14-9-7-13(8-10-14)21(25)26)18(22)20-11-3-5-15-16(19(23)24)4-2-6-17(15)20/h2,4,6-10,12H,3,5,11H2,1H3,(H,23,24)