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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(ethoxycarbonylamino)-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-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-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-(carbethoxyamino)-2-keto-ethyl] ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O5/c1-3-26-18(25)20-15(23)11-27-16(24)10-9-14-12(2)21-22(17(14)19)13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,20,23,25)/b10-9+