4-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]benzoic acid

Systemtic Name: 4-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]benzoic acid Openeye Name: 4-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]benzoic acid CAS Name: 4-[[3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]benzoic acid Traditional Name: 4-[[3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]benzoic acid Formula: C25H19N3O3 MolecularWeight: 409.43666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H19N3O3/c29-23(26-21-14-11-19(12-15-21)25(30)31)16-13-20-17-28(22-9-5-2-6-10-22)27-24(20)18-7-3-1-4-8-18/h1-17H,(H,26,29)(H,30,31)