(2-azanyl-2-oxidanylidene-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-amino-2-oxo-ethyl) (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid (2-amino-2-keto-ethyl) ester 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=C(C=C3)Br)C=CC(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)/C=C/C(=O)OCC(=O)N

InChI

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