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

Systemtic Name: 2-methoxyethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitro-benzoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O6/c1-31-13-14-32-21(28)16-3-8-19(20(15-16)26(29)30)24-23-17-4-6-18(7-5-17)25(11-12-27)10-2-9-22/h3-8,15,27H,2,10-14H2,1H3