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

Systemtic Name: methyl 1-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O5/c1-12-19(20(26)29-2)15-11-14(25)5-7-18(15)23(12)9-3-8-22-17-6-4-13(24(27)28)10-16(17)21/h4-7,10-11,22,25H,3,8-9H2,1-2H3