2-[[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-5-nitro-benzenecarbonitrile; ethanoic acid

Systemtic Name: 2-[[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-5-nitro-benzenecarbonitrile; ethanoic acid Openeye Name: acetic acid; 2-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-5-nitro-benzonitrile CAS Name: acetic acid; 2-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo-5-nitrobenzonitrile IUPAC Name: acetic acid; 2-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-5-nitrobenzonitrile Traditional Name: acetic acid; 2-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-5-nitro-benzonitrile Formula: C22H27N5O8 MolecularWeight: 489.47848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.CC(=O)O.CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N.CC(=O)O.CC(=O)O

InChI

InChI=1S/C18H19N5O4.2C2H4O2/c1-13-10-15(22(6-8-24)7-9-25)2-4-17(13)20-21-18-5-3-16(23(26)27)11-14(18)12-19;2*1-2(3)4/h2-5,10-11,24-25H,6-9H2,1H3;2*1H3,(H,3,4)