tert-butyl 3-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-[2-[3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-3-oxo-propanoate CAS Name: 3-[2-[3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-1-pyrazolidinyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]pyrazolidin-1-yl]-3-oxopropanoate Traditional Name: 3-[2-[3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]pyrazolidin-1-yl]-3-keto-propionic acid tert-butyl ester Formula: C18H25ClN4O4 MolecularWeight: 396.8685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CC(=O)OC(C)(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C=CC(=O)N2CCCN2C(=O)CC(=O)OC(C)(C)C)Cl)C

InChI

InChI=1S/C18H25ClN4O4/c1-12-13(17(19)21(5)20-12)7-8-14(24)22-9-6-10-23(22)15(25)11-16(26)27-18(2,3)4/h7-8H,6,9-11H2,1-5H3