2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-3,5-dinitro-benzenecarbonitrile Openeye Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-3,5-dinitro-benzonitrile CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-3,5-dinitrobenzonitrile IUPAC Name: 2-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-3,5-dinitrobenzonitrile Traditional Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-3,5-dinitro-benzonitrile Formula: C17H16N6O6 MolecularWeight: 400.34554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO

Isomeric SMILES

C1=CC(=CC=C1N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCO

InChI

InChI=1S/C17H16N6O6/c18-11-12-9-15(22(26)27)10-16(23(28)29)17(12)20-19-13-1-3-14(4-2-13)21(5-7-24)6-8-25/h1-4,9-10,24-25H,5-8H2