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

Systemtic Name: N-[(4-bromanyl-3-nitro-phenyl)methyl]-3-ethynyl-aniline Openeye Name: N-[(4-bromo-3-nitro-phenyl)methyl]-3-ethynyl-aniline CAS Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-ethynylaniline IUPAC Name: N-[(4-bromo-3-nitrophenyl)methyl]-3-ethynylaniline Traditional Name: (4-bromo-3-nitro-benzyl)-(3-ethynylphenyl)amine Formula: C15H11BrN2O2 MolecularWeight: 331.16404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11BrN2O2/c1-2-11-4-3-5-13(8-11)17-10-12-6-7-14(16)15(9-12)18(19)20/h1,3-9,17H,10H2