quinolin-8-ylmethyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: quinolin-8-ylmethyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: 8-quinolylmethyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid 8-quinolylmethyl ester Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-27(24,25)16-8-7-13(10-15(16)20(22)23)18(21)26-11-14-5-2-4-12-6-3-9-19-17(12)14/h2-10H,11H2,1H3