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

Systemtic Name: ethyl 4-[[4-[bis(2-hydroxyethyl)amino]-2-methyl-phenyl]diazenyl]-3-bromanyl-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H23BrN4O6 MolecularWeight: 495.32382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O6/c1-3-31-20(28)14-11-16(21)19(18(12-14)25(29)30)23-22-17-5-4-15(10-13(17)2)24(6-8-26)7-9-27/h4-5,10-12,26-27H,3,6-9H2,1-2H3