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

Systemtic Name: methyl 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]ethanoate Openeye Name: methyl 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate CAS Name: 2-[[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]acetate Traditional Name: 2-[[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]amino]acetic acid methyl ester Formula: C15H19N5O5 MolecularWeight: 349.34186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCCCCC3

Isomeric SMILES

COC(=O)CNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])N3CCCCCC3

InChI

InChI=1S/C15H19N5O5/c1-24-12(21)9-16-10-8-11(19-6-4-2-3-5-7-19)15(20(22)23)14-13(10)17-25-18-14/h8,16H,2-7,9H2,1H3