methyl 2-[[2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]benzoate CAS Name: 2-[[2-cyano-1-oxo-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)acryloyl]amino]benzoic acid methyl ester Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=C(NN=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N4O3/c1-28-21(27)17-9-5-6-10-18(17)24-20(26)15(12-22)11-16-13-23-25-19(16)14-7-3-2-4-8-14/h2-11,13H,1H3,(H,23,25)(H,24,26)