N-[(E)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-4-nitro-3-(trifluoromethyl)aniline

Systemtic Name: N-[(E)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-4-nitro-3-(trifluoromethyl)aniline Openeye Name: N-[(E)-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-4-nitro-3-(trifluoromethyl)aniline CAS Name: N-[(E)-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)amino]-4-nitro-3-(trifluoromethyl)aniline IUPAC Name: N-[(E)-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)amino]-4-nitro-3-(trifluoromethyl)aniline Traditional Name: [(E)-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)amino]-[4-nitro-3-(trifluoromethyl)phenyl]amine Formula: C17H13F3N6O2 MolecularWeight: 390.31933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N6O2/c1-10-15(16(21)25(24-10)12-5-3-2-4-6-12)23-22-11-7-8-14(26(27)28)13(9-11)17(18,19)20/h2-9,21-22H,1H3/b21-16?,23-15+