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

Systemtic Name: methyl 2-[[4-nitro-5-(3-oxidanylpropylamino)-2,1,3-benzoxadiazol-7-yl]amino]benzoate Openeye Name: methyl 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate CAS Name: 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(3-hydroxypropylamino)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Traditional Name: 2-[[6-(3-hydroxypropylamino)-7-nitro-benzofurazan-4-yl]amino]benzoic acid methyl ester Formula: C17H17N5O6 MolecularWeight: 387.34678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C17H17N5O6/c1-27-17(24)10-5-2-3-6-11(10)19-12-9-13(18-7-4-8-23)16(22(25)26)15-14(12)20-28-21-15/h2-3,5-6,9,18-19,23H,4,7-8H2,1H3