(4-bromanyl-2-methanoyl-phenyl) 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-bromanyl-2-methanoyl-phenyl) 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Openeye Name: (4-bromo-2-formyl-phenyl) 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate CAS Name: 3-(1,3-diphenyl-4-pyrazolyl)-2-propenoic acid (4-bromo-2-formylphenyl) ester IUPAC Name: (4-bromo-2-formylphenyl) 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-(1,3-diphenylpyrazol-4-yl)acrylic acid (4-bromo-2-formyl-phenyl) ester Formula: C25H17BrN2O3 MolecularWeight: 473.31808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OC3=C(C=C(C=C3)Br)C=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)OC3=C(C=C(C=C3)Br)C=O)C4=CC=CC=C4

InChI

InChI=1S/C25H17BrN2O3/c26-21-12-13-23(20(15-21)17-29)31-24(30)14-11-19-16-28(22-9-5-2-6-10-22)27-25(19)18-7-3-1-4-8-18/h1-17H