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

Systemtic Name: 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitro-benzonitrile CAS Name: 2-[[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]amino]-5-nitro-benzonitrile Formula: C19H17N7O5 MolecularWeight: 423.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N7O5/c20-11-12-9-13(25(27)28)5-6-14(12)21-15-10-16(24-7-3-1-2-4-8-24)19(26(29)30)18-17(15)22-31-23-18/h5-6,9-10,21H,1-4,7-8H2