4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-but-2-enoic acid CAS Name: 4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxo-2-butenoic acid IUPAC Name: 4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid Traditional Name: 4-keto-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylamino]but-2-enoic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C=CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C=CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4/c1-28-18-9-7-15(8-10-18)21-16(13-22-19(25)11-12-20(26)27)14-24(23-21)17-5-3-2-4-6-17/h2-12,14H,13H2,1H3,(H,22,25)(H,26,27)