6-[(4-chloranyl-2-nitro-phenoxy)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(4-chloranyl-2-nitro-phenoxy)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-chloro-2-nitro-phenoxy)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(4-chloro-2-nitrophenoxy)methyl]-N2-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(4-chloro-2-nitrophenoxy)methyl]-2-N-(2-ethylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(4-chloro-2-nitro-phenoxy)methyl]-s-triazin-2-yl]-(2-ethylphenyl)amine Formula: C18H17ClN6O3 MolecularWeight: 400.81898

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN6O3/c1-2-11-5-3-4-6-13(11)21-18-23-16(22-17(20)24-18)10-28-15-8-7-12(19)9-14(15)25(26)27/h3-9H,2,10H2,1H3,(H3,20,21,22,23,24)