4-[(E)-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(5-nitrofuran-2-yl)prop-2-enyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(E)-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(5-nitrofuran-2-yl)prop-2-enyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(E)-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(5-nitro-2-furyl)allyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(E)-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(5-nitro-2-furanyl)prop-2-enyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(E)-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(5-nitrofuran-2-yl)prop-2-enyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[(E)-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(5-nitro-2-furyl)allyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C29H27N5O5 MolecularWeight: 525.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C=CC3=CC=C(O3)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(/C=C/C3=CC=C(O3)[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H27N5O5/c1-19-26(28(35)32(30(19)3)21-11-7-5-8-12-21)24(17-15-23-16-18-25(39-23)34(37)38)27-20(2)31(4)33(29(27)36)22-13-9-6-10-14-22/h5-18,24H,1-4H3/b17-15+