[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl]azanium

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl]azanium Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl]-ethyl-[2-oxo-2-(4-phenylazoanilino)ethyl]ammonium CAS Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]ammonium IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]azanium Traditional Name: [2-(carbethoxyamino)-2-keto-ethyl]-ethyl-[2-keto-2-(4-phenylazoanilino)ethyl]ammonium Formula: C21H26N5O4+ MolecularWeight: 412.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)CC(=O)NC(=O)OCC

Isomeric SMILES

CC[NH+](CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2)CC(=O)NC(=O)OCC

InChI

InChI=1S/C21H25N5O4/c1-3-26(15-20(28)23-21(29)30-4-2)14-19(27)22-16-10-12-18(13-11-16)25-24-17-8-6-5-7-9-17/h5-13H,3-4,14-15H2,1-2H3,(H,22,27)(H,23,28,29)/p+1