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

Systemtic Name: ethyl 2-methyl-1-[3-(4-nitrophenyl)propyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-1-[3-(4-nitrophenyl)propyl]indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-1-[3-(4-nitrophenyl)propyl]indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[3-(4-nitrophenyl)propyl]indole-3-carboxylic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N2O5/c1-3-28-21(25)20-14(2)22(19-11-10-17(24)13-18(19)20)12-4-5-15-6-8-16(9-7-15)23(26)27/h6-11,13,24H,3-5,12H2,1-2H3