dimethyl 3-[4-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoylamino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H22ClN5O5 MolecularWeight: 423.85078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC)Cl)C

InChI

InChI=1S/C18H22ClN5O5/c1-11-14(18(19)23(2)22-11)5-6-15(25)21-12-9-20-24(10-12)13(7-16(26)28-3)8-17(27)29-4/h5-6,9-10,13H,7-8H2,1-4H3,(H,21,25)