N-[[2,4-bis(fluoranyl)phenyl]methyl]-N-[[4-(4-hexyl-3-prop-2-enoxy-phenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-N-[[4-(4-hexyl-3-prop-2-enoxy-phenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline Openeye Name: N-[[4-(3-allyloxy-4-hexyl-phenoxy)phenyl]methyl]-N-[(2,4-difluorophenyl)methyl]-2-methyl-3-nitro-aniline CAS Name: N-[(2,4-difluorophenyl)methyl]-N-[[4-(4-hexyl-3-prop-2-enoxyphenoxy)phenyl]methyl]-2-methyl-3-nitroaniline IUPAC Name: N-[(2,4-difluorophenyl)methyl]-N-[[4-(4-hexyl-3-prop-2-enoxyphenoxy)phenyl]methyl]-2-methyl-3-nitroaniline Traditional Name: [4-(3-allyloxy-4-hexyl-phenoxy)benzyl]-(2,4-difluorobenzyl)-(2-methyl-3-nitro-phenyl)amine Formula: C36H38F2N2O4 MolecularWeight: 600.694726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=C(C(=CC=C4)[N+](=O)[O-])C)OCC=C

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=C(C(=CC=C4)[N+](=O)[O-])C)OCC=C

InChI

InChI=1S/C36H38F2N2O4/c1-4-6-7-8-10-28-16-20-32(23-36(28)43-21-5-2)44-31-18-13-27(14-19-31)24-39(25-29-15-17-30(37)22-33(29)38)34-11-9-12-35(26(34)3)40(41)42/h5,9,11-20,22-23H,2,4,6-8,10,21,24-25H2,1,3H3