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

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(butylcarbamoylamino)-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-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] (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-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23ClN4O4 MolecularWeight: 418.87402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O4/c1-3-4-12-22-20(28)23-17(26)13-29-18(27)11-10-16-14(2)24-25(19(16)21)15-8-6-5-7-9-15/h5-11H,3-4,12-13H2,1-2H3,(H2,22,23,26,28)/b11-10+