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

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]amine Formula: C17H14N6O4 MolecularWeight: 366.33086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H14N6O4/c1-12-13(11-21(20-12)14-5-3-2-4-6-14)10-18-19-16-8-7-15(22(24)25)9-17(16)23(26)27/h2-11,19H,1H3/b18-10+