N-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]amine Formula: C22H15FN6O4 MolecularWeight: 446.390703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)/C=N/NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H15FN6O4/c23-17-8-6-15(7-9-17)22-16(14-27(26-22)18-4-2-1-3-5-18)13-24-25-20-11-10-19(28(30)31)12-21(20)29(32)33/h1-14,25H/b24-13+