N-[[4-(4-bromanyl-3-prop-2-enoxy-phenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline

Systemtic Name: N-[[4-(4-bromanyl-3-prop-2-enoxy-phenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline Openeye Name: N-[[4-(3-allyloxy-4-bromo-phenoxy)phenyl]methyl]-2-methyl-3-nitro-aniline CAS Name: N-[[4-(4-bromo-3-prop-2-enoxyphenoxy)phenyl]methyl]-2-methyl-3-nitroaniline IUPAC Name: N-[[4-(4-bromo-3-prop-2-enoxyphenoxy)phenyl]methyl]-2-methyl-3-nitroaniline Traditional Name: [4-(3-allyloxy-4-bromo-phenoxy)benzyl]-(2-methyl-3-nitro-phenyl)amine Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC3=CC(=C(C=C3)Br)OCC=C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NCC2=CC=C(C=C2)OC3=CC(=C(C=C3)Br)OCC=C

InChI

InChI=1S/C23H21BrN2O4/c1-3-13-29-23-14-19(11-12-20(23)24)30-18-9-7-17(8-10-18)15-25-21-5-4-6-22(16(21)2)26(27)28/h3-12,14,25H,1,13,15H2,2H3