ethyl 1-[(2S,3R,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-2-carboxylate

Systemtic Name: ethyl 1-[(2S,3R,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-2-carboxylate Openeye Name: ethyl 1-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]indole-2-carboxylate CAS Name: 1-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]indole-2-carboxylate Traditional Name: 1-[(2S,3R,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]indole-2-carboxylic acid ethyl ester Formula: C24H26N2O8 MolecularWeight: 470.47184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=CC=CC=C2N1C3C(C(OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O

Isomeric SMILES

CCOC(=O)C1=CC2=CC=CC=C2N1[C@@H]3[C@H]([C@@](OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O

InChI

InChI=1S/C24H26N2O8/c1-5-33-22(28)18-12-14-8-6-7-9-17(14)25(18)20-16-13-15(26(29)30)10-11-19(16)34-24(2,21(20)27)23(31-3)32-4/h6-13,20-21,23,27H,5H2,1-4H3/t20-,21+,24-/m0/s1