methyl 1-methylsulfonyl-5-nitro-7-phenylmethoxy-indole-2-carboxylate

Systemtic Name: methyl 1-methylsulfonyl-5-nitro-7-phenylmethoxy-indole-2-carboxylate Openeye Name: methyl 7-benzyloxy-1-methylsulfonyl-5-nitro-indole-2-carboxylate CAS Name: 1-methylsulfonyl-5-nitro-7-phenylmethoxy-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-methylsulfonyl-5-nitro-7-phenylmethoxyindole-2-carboxylate Traditional Name: 7-benzoxy-1-mesyl-5-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=CC(=CC(=C2N1S(=O)(=O)C)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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