2-[2-methyl-7-nitro-1-(5-oxidanylpentyl)-2,3-dihydroindol-5-yl]ethanoate

Systemtic Name: 2-[2-methyl-7-nitro-1-(5-oxidanylpentyl)-2,3-dihydroindol-5-yl]ethanoate Openeye Name: 2-[1-(5-hydroxypentyl)-2-methyl-7-nitro-indolin-5-yl]acetate CAS Name: 2-[1-(5-hydroxypentyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]acetate IUPAC Name: 2-[1-(5-hydroxypentyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]acetate Traditional Name: 2-[1-(5-hydroxypentyl)-2-methyl-7-nitro-indolin-5-yl]acetate Formula: C16H21N2O5- MolecularWeight: 321.34834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=CC(=C2N1CCCCCO)[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC1CC2=CC(=CC(=C2N1CCCCCO)[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-11-7-13-8-12(10-15(20)21)9-14(18(22)23)16(13)17(11)5-3-2-4-6-19/h8-9,11,19H,2-7,10H2,1H3,(H,20,21)/p-1