(6-isocyano-7-methoxy-1-methyl-2-phenyl-pyrrolo[1,2-b][1,2,4]triazol-5-yl) ethanoate

Systemtic Name: (6-isocyano-7-methoxy-1-methyl-2-phenyl-pyrrolo[1,2-b][1,2,4]triazol-5-yl) ethanoate Openeye Name: (6-isocyano-7-methoxy-1-methyl-2-phenyl-pyrrolo[1,2-b][1,2,4]triazol-5-yl) acetate CAS Name: acetic acid (6-isocyano-7-methoxy-1-methyl-2-phenyl-5-pyrrolo[1,2-b][1,2,4]triazolyl) ester IUPAC Name: (6-isocyano-7-methoxy-1-methyl-2-phenylpyrrolo[1,2-b][1,2,4]triazol-5-yl) acetate Traditional Name: acetic acid (6-isocyano-7-methoxy-1-methyl-2-phenyl-pyrrolo[1,2-b][1,2,4]triazol-5-yl) ester Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C2N1N=C(N2C)C3=CC=CC=C3)OC)[N+]#[C-]

Isomeric SMILES

CC(=O)OC1=C(C(=C2N1N=C(N2C)C3=CC=CC=C3)OC)[N+]#[C-]

InChI

InChI=1S/C16H14N4O3/c1-10(21)23-16-12(17-2)13(22-4)15-19(3)14(18-20(15)16)11-8-6-5-7-9-11/h5-9H,1,3-4H3