(2R)-2-[(2S)-7-(5-chloranyl-3-nitro-indol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid

Systemtic Name: (2R)-2-[(2S)-7-(5-chloranyl-3-nitro-indol-1-yl)-2-oxidanyl-heptyl]-2-oxidanyl-butanedioic acid Openeye Name: (2R)-2-[(2S)-7-(5-chloro-3-nitro-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-butanedioic acid CAS Name: (2R)-2-[(2S)-7-(5-chloro-3-nitro-1-indolyl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid IUPAC Name: (2R)-2-[(2S)-7-(5-chloro-3-nitroindol-1-yl)-2-hydroxyheptyl]-2-hydroxybutanedioic acid Traditional Name: (2R)-2-[(2S)-7-(5-chloro-3-nitro-indol-1-yl)-2-hydroxy-heptyl]-2-hydroxy-succinic acid Formula: C19H23ClN2O8 MolecularWeight: 442.84752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CN2CCCCCC(CC(CC(=O)O)(C(=O)O)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CN2CCCCC[C@@H](C[C@@](CC(=O)O)(C(=O)O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H23ClN2O8/c20-12-5-6-15-14(8-12)16(22(29)30)11-21(15)7-3-1-2-4-13(23)9-19(28,18(26)27)10-17(24)25/h5-6,8,11,13,23,28H,1-4,7,9-10H2,(H,24,25)(H,26,27)/t13-,19+/m0/s1