(2-azanyl-2-oxidanylidene-ethyl) 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]prop-2-enoate Traditional Name: 3-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid (2-amino-2-keto-ethyl) ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)OCC(=O)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C=CC(=O)OCC(=O)N

InChI

InChI=1S/C17H18ClN3O3/c1-11-14(7-8-17(23)24-10-16(19)22)12(2)21(20-11)9-13-5-3-4-6-15(13)18/h3-8H,9-10H2,1-2H3,(H2,19,22)