methyl 5-[[4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H18BrN3O5 MolecularWeight: 460.27802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=CC(=O)NC2=CN(N=C2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C20H18BrN3O5/c1-27-17-6-4-14(21)9-13(17)3-8-19(25)23-15-10-22-24(11-15)12-16-5-7-18(29-16)20(26)28-2/h3-11H,12H2,1-2H3,(H,23,25)