(E)-4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-keto-but-2-enoate Formula: C20H15BrN3O3- MolecularWeight: 425.2554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)CNC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C20H16BrN3O3/c21-16-8-6-14(7-9-16)20-15(12-22-18(25)10-11-19(26)27)13-24(23-20)17-4-2-1-3-5-17/h1-11,13H,12H2,(H,22,25)(H,26,27)/p-1/b11-10+