(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[4-(3,5-diphenyl-1-pyrazolyl)phenyl]-N-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(3-nitrophenyl)acrylamide Formula: C31H21N5O3 MolecularWeight: 511.53014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)C=C(C#N)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)/C=C(\C#N)/C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C31H21N5O3/c32-21-25(31(37)33-26-12-7-13-28(19-26)36(38)39)18-22-14-16-27(17-15-22)35-30(24-10-5-2-6-11-24)20-29(34-35)23-8-3-1-4-9-23/h1-20H,(H,33,37)/b25-18+