4-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]diazenyl]-2-phenylazanyl-6-[(phenylmethyl)amino]pyridine-3-carbonitrile

Systemtic Name: 4-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]diazenyl]-2-phenylazanyl-6-[(phenylmethyl)amino]pyridine-3-carbonitrile Openeye Name: 2-anilino-6-(benzylamino)-4-methyl-5-[4-nitro-2-(trifluoromethyl)phenyl]azo-pyridine-3-carbonitrile CAS Name: 2-anilino-4-methyl-5-[4-nitro-2-(trifluoromethyl)phenyl]azo-6-[(phenylmethyl)amino]-3-pyridinecarbonitrile IUPAC Name: 2-anilino-6-(benzylamino)-4-methyl-5-[[4-nitro-2-(trifluoromethyl)phenyl]diazenyl]pyridine-3-carbonitrile Traditional Name: 2-anilino-6-(benzylamino)-4-methyl-5-[4-nitro-2-(trifluoromethyl)phenyl]azo-nicotinonitrile Formula: C27H20F3N7O2 MolecularWeight: 531.48861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)NCC3=CC=CC=C3)NC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)NCC3=CC=CC=C3)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C27H20F3N7O2/c1-17-21(15-31)25(33-19-10-6-3-7-11-19)34-26(32-16-18-8-4-2-5-9-18)24(17)36-35-23-13-12-20(37(38)39)14-22(23)27(28,29)30/h2-14H,16H2,1H3,(H2,32,33,34)