ethyl 4-[2-[4-bromanyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)iminomethyl]phenoxy]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-bromanyl-2-[(3,5-dimethyl-1H-pyrazol-4-yl)iminomethyl]phenoxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-bromo-2-[(3,5-dimethyl-1H-pyrazol-4-yl)iminomethyl]phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-bromo-2-[(3,5-dimethyl-1H-pyrazol-4-yl)iminomethyl]phenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-bromo-2-[(3,5-dimethyl-1H-pyrazol-4-yl)iminomethyl]phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-bromo-2-[(3,5-dimethyl-1H-pyrazol-4-yl)iminomethyl]phenoxy]acetyl]amino]benzoic acid ethyl ester Formula: C23H23BrN4O4 MolecularWeight: 499.35712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)C=NC3=C(NN=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Br)C=NC3=C(NN=C3C)C

InChI

InChI=1S/C23H23BrN4O4/c1-4-31-23(30)16-5-8-19(9-6-16)26-21(29)13-32-20-10-7-18(24)11-17(20)12-25-22-14(2)27-28-15(22)3/h5-12H,4,13H2,1-3H3,(H,26,29)(H,27,28)