(2-chloranylquinolin-3-yl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-chloro-3-quinolyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-chloro-3-quinolyl)methyl ester Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC3=CC=CC=C3N=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6S/c1-28(25,26)16-7-6-12(9-15(16)21(23)24)18(22)27-10-13-8-11-4-2-3-5-14(11)20-17(13)19/h2-9H,10H2,1H3