methyl 3-(2-chloranyl-5-nitro-phenyl)-1-(2,2-dimethylpropanoyl)indole-6-carboxylate

Systemtic Name: methyl 3-(2-chloranyl-5-nitro-phenyl)-1-(2,2-dimethylpropanoyl)indole-6-carboxylate Openeye Name: methyl 3-(2-chloro-5-nitro-phenyl)-1-(2,2-dimethylpropanoyl)indole-6-carboxylate CAS Name: 3-(2-chloro-5-nitrophenyl)-1-(2,2-dimethyl-1-oxopropyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-chloro-5-nitrophenyl)-1-(2,2-dimethylpropanoyl)indole-6-carboxylate Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-pivaloyl-indole-6-carboxylic acid methyl ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C=C(C2=C1C=C(C=C2)C(=O)OC)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C(=O)N1C=C(C2=C1C=C(C=C2)C(=O)OC)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN2O5/c1-21(2,3)20(26)23-11-16(15-10-13(24(27)28)6-8-17(15)22)14-7-5-12(9-18(14)23)19(25)29-4/h5-11H,1-4H3