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

Systemtic Name: 2-methoxyethyl 1-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: 2-methoxyethyl 1-[3-(2-chloro-4-nitro-anilino)propyl]-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 1-[3-(2-chloro-4-nitroanilino)propyl]-5-hydroxy-2-methyl-3-indolecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 1-[3-(2-chloro-4-nitroanilino)propyl]-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-[3-(2-chloro-4-nitro-anilino)propyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid 2-methoxyethyl ester Formula: C22H24ClN3O6 MolecularWeight: 461.89546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O6/c1-14-21(22(28)32-11-10-31-2)17-13-16(27)5-7-20(17)25(14)9-3-8-24-19-6-4-15(26(29)30)12-18(19)23/h4-7,12-13,24,27H,3,8-11H2,1-2H3