ethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitro-benzoate

Systemtic Name: ethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitro-benzoate Openeye Name: ethyl 4-[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]azo-3-nitro-benzoate CAS Name: 4-[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]azo-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitrobenzoate Traditional Name: 4-[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]azo-3-nitro-benzoic acid ethyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c1-2-30-20(27)15-4-9-18(19(14-15)25(28)29)23-22-16-5-7-17(8-6-16)24(12-13-26)11-3-10-21/h4-9,14,26H,2-3,11-13H2,1H3