methyl 2-[[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]amino]ethanoate

Systemtic Name: methyl 2-[[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]amino]ethanoate Openeye Name: methyl 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate CAS Name: 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate Traditional Name: 2-[[6-(3-hydroxypropylamino)-7-nitro-benzofurazan-4-yl]amino]acetic acid methyl ester Formula: C12H15N5O6 MolecularWeight: 325.2774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCO

Isomeric SMILES

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C12H15N5O6/c1-22-9(19)6-14-7-5-8(13-3-2-4-18)12(17(20)21)11-10(7)15-23-16-11/h5,13-14,18H,2-4,6H2,1H3