ethyl 1-(4-chloranyl-2-nitro-phenyl)-5-methoxy-3-(phenylmethyl)indole-2-carboxylate

Systemtic Name: ethyl 1-(4-chloranyl-2-nitro-phenyl)-5-methoxy-3-(phenylmethyl)indole-2-carboxylate Openeye Name: ethyl 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-methoxy-indole-2-carboxylate CAS Name: 1-(4-chloro-2-nitrophenyl)-5-methoxy-3-(phenylmethyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-1-(4-chloro-2-nitrophenyl)-5-methoxyindole-2-carboxylate Traditional Name: 3-benzyl-1-(4-chloro-2-nitro-phenyl)-5-methoxy-indole-2-carboxylic acid ethyl ester Formula: C25H21ClN2O5 MolecularWeight: 464.89764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C=CC(=C2)OC)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C=CC(=C2)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O5/c1-3-33-25(29)24-20(13-16-7-5-4-6-8-16)19-15-18(32-2)10-12-21(19)27(24)22-11-9-17(26)14-23(22)28(30)31/h4-12,14-15H,3,13H2,1-2H3