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

Systemtic Name: 2-methoxyethyl 2-methyl-1-[3-[(4-nitrophenyl)amino]propyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6/c1-15-21(22(27)31-13-12-30-2)19-14-18(26)8-9-20(19)24(15)11-3-10-23-16-4-6-17(7-5-16)25(28)29/h4-9,14,23,26H,3,10-13H2,1-2H3