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

Systemtic Name: methyl 4-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]benzoic acid methyl ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O3/c1-11-15(12(2)20(3)19-11)9-10-16(21)18-14-7-5-13(6-8-14)17(22)23-4/h5-10H,1-4H3,(H,18,21)/b10-9+