4-[(E)-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-nitrophenyl)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-(2-nitrophenyl)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-(2-nitrophenyl)allyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(E)-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(2-nitrophenyl)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-(2-nitrophenyl)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-(2-nitrophenyl)allyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C31H29N5O4 MolecularWeight: 535.59306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C=CC3=CC=CC=C3[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=CC=C3[N+](=O)[O-])C4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C31H29N5O4/c1-21-28(30(37)34(32(21)3)24-14-7-5-8-15-24)26(20-19-23-13-11-12-18-27(23)36(39)40)29-22(2)33(4)35(31(29)38)25-16-9-6-10-17-25/h5-20,26H,1-4H3/b20-19+