2-[[4-[[3-(hydroxymethyl)-4-oxidanylidene-hex-5-en-3-yl]amino]phenyl]diazenyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-[[3-(hydroxymethyl)-4-oxidanylidene-hex-5-en-3-yl]amino]phenyl]diazenyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[[1-ethyl-1-(hydroxymethyl)-2-oxo-but-3-enyl]amino]phenyl]azo-5-nitro-benzonitrile CAS Name: 2-[4-[[3-(hydroxymethyl)-4-oxohex-5-en-3-yl]amino]phenyl]azo-5-nitrobenzonitrile IUPAC Name: 2-[[4-[[3-(hydroxymethyl)-4-oxohex-5-en-3-yl]amino]phenyl]diazenyl]-5-nitrobenzonitrile Traditional Name: 2-[4-[(1-ethyl-2-keto-1-methylol-but-3-enyl)amino]phenyl]azo-5-nitro-benzonitrile Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C(=O)C=C)NC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCC(CO)(C(=O)C=C)NC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H19N5O4/c1-3-19(27)20(4-2,13-26)22-15-5-7-16(8-6-15)23-24-18-10-9-17(25(28)29)11-14(18)12-21/h3,5-11,22,26H,1,4,13H2,2H3