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

Systemtic Name: ethyl 1-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O5/c1-3-30-21(27)20-13(2)24(19-8-6-15(26)12-16(19)20)10-4-9-23-18-7-5-14(25(28)29)11-17(18)22/h5-8,11-12,23,26H,3-4,9-10H2,1-2H3