4-[[4-azanyl-6-(2,6-dimethyl-4-nitro-phenoxy)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-6-(2,6-dimethyl-4-nitro-phenoxy)-1,3,5-triazin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-amino-6-(2,6-dimethyl-4-nitro-phenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile CAS Name: 4-[[4-amino-6-(2,6-dimethyl-4-nitrophenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile IUPAC Name: 4-[[4-amino-6-(2,6-dimethyl-4-nitrophenoxy)-1,3,5-triazin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-amino-6-(2,6-dimethyl-4-nitro-phenoxy)-s-triazin-2-yl]amino]benzonitrile Formula: C18H15N7O3 MolecularWeight: 377.3568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)NC3=CC=C(C=C3)C#N)N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O3/c1-10-7-14(25(26)27)8-11(2)15(10)28-18-23-16(20)22-17(24-18)21-13-5-3-12(9-19)4-6-13/h3-8H,1-2H3,(H3,20,21,22,23,24)