dimethyl 3-[4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(5-bromo-2-methoxy-phenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(5-bromo-2-methoxyphenyl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H22BrN3O6 MolecularWeight: 480.30918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O6/c1-28-17-6-5-14(21)8-13(17)4-7-18(25)23-15-11-22-24(12-15)16(9-19(26)29-2)10-20(27)30-3/h4-8,11-12,16H,9-10H2,1-3H3,(H,23,25)