2-chloranyl-1-(3-ethoxy-4-nitro-phenoxy)-4-(trifluoromethyl)benzene; 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline

Systemtic Name: 2-chloranyl-1-(3-ethoxy-4-nitro-phenoxy)-4-(trifluoromethyl)benzene; 3,4-dimethyl-2,6-dinitro-N-pentan-3-yl-aniline Openeye Name: 2-chloro-1-(3-ethoxy-4-nitro-phenoxy)-4-(trifluoromethyl)benzene; N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-aniline CAS Name: 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene; 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline IUPAC Name: 2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene; 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline Traditional Name: 2-chloro-1-(3-ethoxy-4-nitro-phenoxy)-4-(trifluoromethyl)benzene; (3,4-dimethyl-2,6-dinitro-phenyl)-(1-ethylpropyl)amine Formula: C28H30ClF3N4O8 MolecularWeight: 643.00801

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-].CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClF3NO4.C13H19N3O4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19;1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h3-8H,2H2,1H3;7,10,14H,5-6H2,1-4H3