(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-methyl-3-nitro-benzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-methyl-3-nitro-benzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H15ClN2O4S/c1-11-3-4-13(8-17(11)22(24)25)19(23)26-10-14-7-12-5-6-15(27-2)9-16(12)21-18(14)20/h3-9H,10H2,1-2H3