[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(4-dimethylaminophenyl)azobenzoate CAS Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Traditional Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N4O3/c1-26(2)19-13-11-18(12-14-19)24-25-21-10-6-5-9-20(21)23(29)30-17-22(28)27-15-7-3-4-8-16-27/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3