4-bromanyl-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-methyl-aniline

Systemtic Name: 4-bromanyl-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-methyl-aniline Openeye Name: 4-bromo-N-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-3-methyl-aniline CAS Name: 4-bromo-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-methylaniline IUPAC Name: 4-bromo-N-[(4,5-dimethoxy-2-nitrophenyl)methyl]-3-methylaniline Traditional Name: (4-bromo-3-methyl-phenyl)-(4,5-dimethoxy-2-nitro-benzyl)amine Formula: C16H17BrN2O4 MolecularWeight: 381.22118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O4/c1-10-6-12(4-5-13(10)17)18-9-11-7-15(22-2)16(23-3)8-14(11)19(20)21/h4-8,18H,9H2,1-3H3