(E)-2-cyano-N-cyclopropyl-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-cyclopropyl-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-cyclopropyl-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-cyclopropyl-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-cyclopropyl-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-cyclopropyl-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

C1CC1NC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)/C#N

InChI

InChI=1S/C22H17N5O3/c23-13-16(22(28)24-18-8-9-18)12-17-14-26(19-4-2-1-3-5-19)25-21(17)15-6-10-20(11-7-15)27(29)30/h1-7,10-12,14,18H,8-9H2,(H,24,28)/b16-12+