dimethyl 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-1H-indole-2,3-dicarboxylate

Systemtic Name: dimethyl 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-1H-indole-2,3-dicarboxylate Openeye Name: dimethyl 7-benzyloxy-4-(2-chloroethyl)-5-nitro-1H-indole-2,3-dicarboxylate CAS Name: 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-1H-indole-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2-chloroethyl)-5-nitro-7-phenylmethoxy-1H-indole-2,3-dicarboxylate Traditional Name: 7-benzoxy-4-(2-chloroethyl)-5-nitro-1H-indole-2,3-dicarboxylic acid dimethyl ester Formula: C21H19ClN2O7 MolecularWeight: 446.83776

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O7/c1-29-20(25)17-16-13(8-9-22)14(24(27)28)10-15(18(16)23-19(17)21(26)30-2)31-11-12-6-4-3-5-7-12/h3-7,10,23H,8-9,11H2,1-2H3