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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(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/c1-11-4-6-24(7-5-11)16-9-15(17-18(23-31-22-17)19(16)26(29)30)21-14-3-2-13(25(27)28)8-12(14)10-20/h2-3,8-9,11,21H,4-7H2,1H3