2-[1-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]ethanoate

Systemtic Name: 2-[1-(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]ethanoate Openeye Name: 2-[1-(4-amino-5-hydroxy-5-oxo-pentanoyl)-2-methyl-7-nitro-indolin-5-yl]acetate CAS Name: 2-[1-(4-amino-5-hydroxy-1,5-dioxopentyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]acetate IUPAC Name: 2-[1-(4-amino-5-hydroxy-5-oxopentanoyl)-2-methyl-7-nitro-2,3-dihydroindol-5-yl]acetate Traditional Name: 2-[1-(4-amino-5-hydroxy-5-keto-pentanoyl)-2-methyl-7-nitro-indolin-5-yl]acetate Formula: C16H18N3O7- MolecularWeight: 364.33002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O7/c1-8-4-10-5-9(7-14(21)22)6-12(19(25)26)15(10)18(8)13(20)3-2-11(17)16(23)24/h5-6,8,11H,2-4,7,17H2,1H3,(H,21,22)(H,23,24)/p-1