2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-3-bromanyl-5-nitro-benzoate

Systemtic Name: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-3-bromanyl-5-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-3-bromo-5-nitro-benzoate CAS Name: 4-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-3-bromo-5-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-3-bromo-5-nitrobenzoate Traditional Name: 4-[4-[bis(2-hydroxyethyl)amino]phenyl]azo-3-bromo-5-nitro-benzoic acid 2-methoxyethyl ester Formula: C20H23BrN4O7 MolecularWeight: 511.32322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O7/c1-31-10-11-32-20(28)14-12-17(21)19(18(13-14)25(29)30)23-22-15-2-4-16(5-3-15)24(6-8-26)7-9-27/h2-5,12-13,26-27H,6-11H2,1H3