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

Systemtic Name: methyl 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Openeye Name: methyl 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate CAS Name: 2-[[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzoate Traditional Name: 2-[[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]amino]benzoic acid methyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C20H21N5O5/c1-29-20(26)13-8-4-5-9-14(13)21-15-12-16(24-10-6-2-3-7-11-24)19(25(27)28)18-17(15)22-30-23-18/h4-5,8-9,12,21H,2-3,6-7,10-11H2,1H3