ethyl 2,4-dimethyl-1-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-1-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,4-dimethyl-indole-3-carboxylate CAS Name: 5-hydroxy-1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,4-dimethyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,4-dimethylindole-3-carboxylate Traditional Name: 5-hydroxy-1-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2,4-dimethyl-indole-3-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-4-29-21(26)20-13(3)22(16-9-10-17(24)12(2)19(16)20)11-18(25)14-5-7-15(8-6-14)23(27)28/h5-10,18,24-25H,4,11H2,1-3H3/t18-/m1/s1