2-bromanyl-3-(4-ethynylphenyl)-5-nitro-aniline

Systemtic Name: 2-bromanyl-3-(4-ethynylphenyl)-5-nitro-aniline Openeye Name: 2-bromo-3-(4-ethynylphenyl)-5-nitro-aniline CAS Name: 2-bromo-3-(4-ethynylphenyl)-5-nitroaniline IUPAC Name: 2-bromo-3-(4-ethynylphenyl)-5-nitroaniline Traditional Name: [2-bromo-3-(4-ethynylphenyl)-5-nitro-phenyl]amine Formula: C14H9BrN2O2 MolecularWeight: 317.13746

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=CC(=CC(=C2Br)N)[N+](=O)[O-]

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=CC(=CC(=C2Br)N)[N+](=O)[O-]

InChI

InChI=1S/C14H9BrN2O2/c1-2-9-3-5-10(6-4-9)12-7-11(17(18)19)8-13(16)14(12)15/h1,3-8H,16H2