1-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-4-nitro-thiophen-2-yl]ethanone

Systemtic Name: 1-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-4-nitro-thiophen-2-yl]ethanone Openeye Name: 1-[5-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-4-nitro-2-thienyl]ethanone CAS Name: 1-[5-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-4-nitro-2-thiophenyl]ethanone IUPAC Name: 1-[5-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-4-nitrothiophen-2-yl]ethanone Traditional Name: 1-[5-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-4-nitro-2-thienyl]ethanone Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(S1)N=NC2=CC=C(C=C2)N(CCO)CCO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(S1)N=NC2=CC=C(C=C2)N(CCO)CCO)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-11(23)15-10-14(20(24)25)16(26-15)18-17-12-2-4-13(5-3-12)19(6-8-21)7-9-22/h2-5,10,21-22H,6-9H2,1H3