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

Systemtic Name: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-3-bromanyl-5-nitro-benzoate Openeye Name: 2-methoxyethyl 4-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-3-bromo-5-nitro-benzoate CAS Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo-3-bromo-5-nitrobenzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]diazenyl]-3-bromo-5-nitrobenzoate Traditional Name: 4-[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]azo-3-bromo-5-nitro-benzoic acid 2-methoxyethyl ester Formula: C21H25BrN4O7 MolecularWeight: 525.3498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2Br)C(=O)OCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCO)CCO)N=NC2=C(C=C(C=C2Br)C(=O)OCCOC)[N+](=O)[O-]

InChI

InChI=1S/C21H25BrN4O7/c1-14-11-16(25(5-7-27)6-8-28)3-4-18(14)23-24-20-17(22)12-15(13-19(20)26(30)31)21(29)33-10-9-32-2/h3-4,11-13,27-28H,5-10H2,1-2H3