methyl 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]benzoic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H21N3O5/c1-28-19-11-17(22(27)30-3)18(12-20(19)29-2)24-21(26)10-9-15-13-23-25(14-15)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,24,26)/b10-9+