(2-benzamido-2-oxidanylidene-ethyl) (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-benzamido-2-oxo-ethyl) (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4/c26-20(24-22(28)19-9-5-2-6-10-19)16-29-21(27)12-11-18-13-23-25(15-18)14-17-7-3-1-4-8-17/h1-13,15H,14,16H2,(H,24,26,28)/b12-11+