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

Systemtic Name: ethyl 2-methyl-1-[3-[(4-nitrophenyl)amino]propyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCCNC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCCNC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N3O5/c1-3-29-21(26)20-14(2)23(19-10-9-17(25)13-18(19)20)12-4-11-22-15-5-7-16(8-6-15)24(27)28/h5-10,13,22,25H,3-4,11-12H2,1-2H3