ethyl 5-acetyloxy-2-methyl-4,6-dinitro-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-2-methyl-4,6-dinitro-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-2-methyl-4,6-dinitro-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-2-methyl-4,6-dinitro-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-2-methyl-4,6-dinitro-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-2-methyl-4,6-dinitro-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C20H17N3O8 MolecularWeight: 427.36428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])OC(=O)C)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[N+](=O)[O-])OC(=O)C)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C20H17N3O8/c1-4-30-20(25)16-11(2)21(13-8-6-5-7-9-13)14-10-15(22(26)27)19(31-12(3)24)18(17(14)16)23(28)29/h5-10H,4H2,1-3H3