2-[2-methyl-7-nitro-1-(5-phosphonooxypentanoyl)-2,3-dihydroindol-5-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-7-nitro-1-(5-phosphonooxypentanoyl)-2,3-dihydroindol-5-yl]ethanoic acid Openeye Name: 2-[2-methyl-7-nitro-1-(5-phosphonooxypentanoyl)indolin-5-yl]acetic acid CAS Name: 2-[2-methyl-7-nitro-1-(1-oxo-5-phosphonooxypentyl)-2,3-dihydroindol-5-yl]acetic acid IUPAC Name: 2-[2-methyl-7-nitro-1-(5-phosphonooxypentanoyl)-2,3-dihydroindol-5-yl]acetic acid Traditional Name: 2-[2-methyl-7-nitro-1-(5-phosphonooxypentanoyl)indolin-5-yl]acetic acid Formula: C16H21N2O9P MolecularWeight: 416.319701

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=CC(=C2N1C(=O)CCCCOP(=O)(O)O)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1CC2=CC(=CC(=C2N1C(=O)CCCCOP(=O)(O)O)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H21N2O9P/c1-10-6-12-7-11(9-15(20)21)8-13(18(22)23)16(12)17(10)14(19)4-2-3-5-27-28(24,25)26/h7-8,10H,2-6,9H2,1H3,(H,20,21)(H2,24,25,26)