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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)N)C3=CC=CC(=C3N)C#N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=N2)N)C3=CC=CC(=C3N)C#N)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O3/c1-9-6-12(25(26)27)7-10(2)15(9)28-18-23-16(22-17(21)24-18)13-5-3-4-11(8-19)14(13)20/h3-7H,20H2,1-2H3,(H2,21,22,23,24)