N-[(4-bromanyl-3-nitro-phenyl)methyl]-4-propyl-aniline

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-4-propyl-aniline Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-4-propyl-aniline CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-4-propylaniline IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-4-propylaniline Traditional Name: (4-bromo-3-nitro-benzyl)-(4-propylphenyl)amine Formula: C16H17BrN2O2 MolecularWeight: 349.22238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN2O2/c1-2-3-12-4-7-14(8-5-12)18-11-13-6-9-15(17)16(10-13)19(20)21/h4-10,18H,2-3,11H2,1H3