[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C=CC1=C(N(N=C1C)C2=CC=CC=C2)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)/C=C/C1=C(N(N=C1C)C2=CC=CC=C2)Cl

InChI

InChI=1S/C20H24ClN3O3/c1-4-15(5-2)22-18(25)13-27-19(26)12-11-17-14(3)23-24(20(17)21)16-9-7-6-8-10-16/h6-12,15H,4-5,13H2,1-3H3,(H,22,25)/b12-11+