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

Systemtic Name: 2-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile Openeye Name: 2-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile CAS Name: 2-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 2-[[5-[2-hydroxyethyl(methyl)amino]-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile Traditional Name: 2-[[6-[2-hydroxyethyl(methyl)amino]-7-nitro-benzofurazan-4-yl]amino]benzonitrile Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCO)C1=C(C2=NON=C2C(=C1)NC3=CC=CC=C3C#N)[N+](=O)[O-]

Isomeric SMILES

CN(CCO)C1=C(C2=NON=C2C(=C1)NC3=CC=CC=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O4/c1-21(6-7-23)13-8-12(18-11-5-3-2-4-10(11)9-17)14-15(20-26-19-14)16(13)22(24)25/h2-5,8,18,23H,6-7H2,1H3