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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (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 [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (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 [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C24H19BrN4O3 MolecularWeight: 491.33666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)/N

InChI

InChI=1S/C24H19BrN4O3/c1-16(27)21(13-26)22(30)15-32-23(31)12-9-18-14-29(20-5-3-2-4-6-20)28-24(18)17-7-10-19(25)11-8-17/h2-12,14H,15,27H2,1H3/b12-9+,21-16+