prop-1-en-2-yloxymethoxymethyl 2-(2-ethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: prop-1-en-2-yloxymethoxymethyl 2-(2-ethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: isopropenyloxymethoxymethyl 2-(2-ethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 2-(2-ethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid 1-methylethenoxymethoxymethyl ester IUPAC Name: prop-1-en-2-yloxymethoxymethyl 2-(2-ethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 2-(2-ethylphenyl)-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid isopropenyloxymethoxymethyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=NC3=C(C(=CN3N2)[N+]#[C-])C(=O)OCOCOC(=C)C

Isomeric SMILES

CCC1=CC=CC=C1C2=NC3=C(C(=CN3N2)[N+]#[C-])C(=O)OCOCOC(=C)C

InChI

InChI=1S/C20H20N4O4/c1-5-14-8-6-7-9-15(14)18-22-19-17(16(21-4)10-24(19)23-18)20(25)28-12-26-11-27-13(2)3/h6-10H,2,5,11-12H2,1,3H3,(H,22,23)