4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)-3-pyrazolyl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-tert-butyl-2-(4-methoxyphenyl)pyrazol-3-yl]amino]-4-keto-butyrate Formula: C18H22N3O4- MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)[O-])C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)[O-])C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)14-11-15(19-16(22)9-10-17(23)24)21(20-14)12-5-7-13(25-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,19,22)(H,23,24)/p-1