methyl 1-methylsulfonyl-6-nitro-4-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 1-methylsulfonyl-6-nitro-4-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 4-benzyloxy-1-methylsulfonyl-6-nitro-indole-2-carboxylate CAS Name: 1-methylsulfonyl-6-nitro-4-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-methylsulfonyl-6-nitro-4-phenylmethoxyindole-2-carboxylate Traditional Name: 4-benzoxy-1-mesyl-6-nitro-indole-2-carboxylic acid methyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2N1S(=O)(=O)C)[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2N1S(=O)(=O)C)[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C18H16N2O7S/c1-26-18(21)16-10-14-15(19(16)28(2,24)25)8-13(20(22)23)9-17(14)27-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3