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

Systemtic Name: 2-[2-methyl-7-nitro-1-(5-oxidanylpentanoyl)-2,3-dihydroindol-5-yl]ethanoic acid Openeye Name: 2-[1-(5-hydroxypentanoyl)-2-methyl-7-nitro-indolin-5-yl]acetic acid CAS Name: 2-[1-(5-hydroxy-1-oxopentyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]acetic acid IUPAC Name: 2-[1-(5-hydroxypentanoyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]acetic acid Traditional Name: 2-[1-(5-hydroxypentanoyl)-2-methyl-7-nitro-indolin-5-yl]acetic acid Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O6/c1-10-6-12-7-11(9-15(21)22)8-13(18(23)24)16(12)17(10)14(20)4-2-3-5-19/h7-8,10,19H,2-6,9H2,1H3,(H,21,22)