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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-furylmethylamino)-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-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-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-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NCC2=CC=CO2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NCC2=CC=CO2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O4/c1-14-17(20(21)24(23-14)15-6-3-2-4-7-15)9-10-19(26)28-13-18(25)22-12-16-8-5-11-27-16/h2-11H,12-13H2,1H3,(H,22,25)/b10-9+