[1-(2-azido-5-bromanyl-phenyl)-3-phenyl-prop-2-ynyl] ethanoate

Systemtic Name: [1-(2-azido-5-bromanyl-phenyl)-3-phenyl-prop-2-ynyl] ethanoate Openeye Name: [1-(2-azido-5-bromo-phenyl)-3-phenyl-prop-2-ynyl] acetate CAS Name: acetic acid [1-(2-azido-5-bromophenyl)-3-phenylprop-2-ynyl] ester IUPAC Name: [1-(2-azido-5-bromophenyl)-3-phenylprop-2-ynyl] acetate Traditional Name: acetic acid [1-(2-azido-5-bromo-phenyl)-3-phenyl-prop-2-ynyl] ester Formula: C17H12BrN3O2 MolecularWeight: 370.20008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O2/c1-12(22)23-17(10-7-13-5-3-2-4-6-13)15-11-14(18)8-9-16(15)20-21-19/h2-6,8-9,11,17H,1H3