2-[[4-[ethyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]-5-nitro-benzoic acid

Systemtic Name: 2-[[4-[ethyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]-5-nitro-benzoic acid Openeye Name: 2-[4-[ethyl(2-prop-2-enoyloxyethyl)amino]phenyl]azo-5-nitro-benzoic acid CAS Name: 2-[4-[ethyl-[2-(1-oxoprop-2-enoxy)ethyl]amino]phenyl]azo-5-nitrobenzoic acid IUPAC Name: 2-[[4-[ethyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]-5-nitrobenzoic acid Traditional Name: 2-[4-[2-acryloyloxyethyl(ethyl)amino]phenyl]azo-5-nitro-benzoic acid Formula: C20H20N4O6 MolecularWeight: 412.396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)C=C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCN(CCOC(=O)C=C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H20N4O6/c1-3-19(25)30-12-11-23(4-2)15-7-5-14(6-8-15)21-22-18-10-9-16(24(28)29)13-17(18)20(26)27/h3,5-10,13H,1,4,11-12H2,2H3,(H,26,27)