N-[(E)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-2,4-dinitro-aniline CAS Name: N-[(E)-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)amino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)amino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[(E)-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)amino]amine Formula: C16H13N7O4 MolecularWeight: 367.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=N)/C1=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C16H13N7O4/c1-10-15(16(17)21(20-10)11-5-3-2-4-6-11)19-18-13-8-7-12(22(24)25)9-14(13)23(26)27/h2-9,17-18H,1H3/b17-16?,19-15+