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

Systemtic Name: 4-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-oxo-but-2-enoic acid CAS Name: 4-[[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]methylamino]-4-oxo-2-butenoic acid IUPAC Name: 4-[[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]methylamino]-4-oxobut-2-enoic acid Traditional Name: 4-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]methylamino]-4-keto-but-2-enoic acid Formula: C20H16BrN3O3 MolecularWeight: 426.26334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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