(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-nitrobenzoate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 3-nitrobenzoate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C18H13ClN2O4S MolecularWeight: 388.82482

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H13ClN2O4S/c1-26-15-6-5-11-7-13(17(19)20-16(11)9-15)10-25-18(22)12-3-2-4-14(8-12)21(23)24/h2-9H,10H2,1H3