1-[(2S,3S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-2-carboxylic acid

Systemtic Name: 1-[(2S,3S,4S)-2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]indole-2-carboxylic acid Openeye Name: 1-[(2S,3S,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]indole-2-carboxylic acid CAS Name: 1-[(2S,3S,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-indolecarboxylic acid IUPAC Name: 1-[(2S,3S,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]indole-2-carboxylic acid Traditional Name: 1-[(2S,3S,4S)-2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]indole-2-carboxylic acid Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4C=C3C(=O)O)O)C(OC)OC

Isomeric SMILES

C[C@]1([C@H]([C@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C4=CC=CC=C4C=C3C(=O)O)O)C(OC)OC

InChI

InChI=1S/C22H22N2O8/c1-22(21(30-2)31-3)19(25)18(14-11-13(24(28)29)8-9-17(14)32-22)23-15-7-5-4-6-12(15)10-16(23)20(26)27/h4-11,18-19,21,25H,1-3H3,(H,26,27)/t18-,19-,22-/m0/s1