methyl 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-2-(trifluoromethyl)-1H-indole-3-carboxylate

Systemtic Name: methyl 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-2-(trifluoromethyl)-1H-indole-3-carboxylate Openeye Name: methyl 7-benzyloxy-4-(2-chloroethyl)-5-nitro-2-(trifluoromethyl)-1H-indole-3-carboxylate CAS Name: 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-2-(trifluoromethyl)-1H-indole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-2-(trifluoromethyl)-1H-indole-3-carboxylate Traditional Name: 7-benzoxy-4-(2-chloroethyl)-5-nitro-2-(trifluoromethyl)-1H-indole-3-carboxylic acid methyl ester Formula: C20H16ClF3N2O5 MolecularWeight: 456.79965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C=C(C(=C12)CCCl)[N+](=O)[O-])OCC3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(NC2=C(C=C(C(=C12)CCCl)[N+](=O)[O-])OCC3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H16ClF3N2O5/c1-30-19(27)16-15-12(7-8-21)13(26(28)29)9-14(17(15)25-18(16)20(22,23)24)31-10-11-5-3-2-4-6-11/h2-6,9,25H,7-8,10H2,1H3