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

Systemtic Name: ethyl 4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-3-bromanyl-5-nitro-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H21BrN4O6 MolecularWeight: 481.29724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O6/c1-2-30-19(27)13-11-16(20)18(17(12-13)24(28)29)22-21-14-3-5-15(6-4-14)23(7-9-25)8-10-26/h3-6,11-12,25-26H,2,7-10H2,1H3