[2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=C(N(N=C1C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3/c1-4-5-8-16-12(19)9-21-13(20)7-6-11-10(2)17-18(3)14(11)15/h6-7H,4-5,8-9H2,1-3H3,(H,16,19)/b7-6+