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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (2-amino-2-keto-ethyl) ester Formula: C16H16ClN3O3 MolecularWeight: 333.76954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)N)Cl)CC2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)N)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C16H16ClN3O3/c1-11-13(7-8-15(22)23-10-14(18)21)16(17)20(19-11)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H2,18,21)/b8-7+