methyl 2-methyl-1-[3-[(4-nitrophenyl)amino]propyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: methyl 2-methyl-1-[3-[(4-nitrophenyl)amino]propyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: methyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]indole-3-carboxylic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CCCNC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1CCCNC3=CC=C(C=C3)[N+](=O)[O-])C=CC(=C2)O)C(=O)OC

InChI

InChI=1S/C20H21N3O5/c1-13-19(20(25)28-2)17-12-16(24)8-9-18(17)22(13)11-3-10-21-14-4-6-15(7-5-14)23(26)27/h4-9,12,21,24H,3,10-11H2,1-2H3