ethyl 4-[2-(benzotriazol-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-(benzotriazol-1-yl)ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-(1-benzotriazolyl)-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(benzotriazol-1-yl)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2C3=CC=CC=C3N=N2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2C3=CC=CC=C3N=N2)C)C

InChI

InChI=1S/C17H18N4O3/c1-4-24-17(23)16-11(3)18-10(2)15(16)14(22)9-21-13-8-6-5-7-12(13)19-20-21/h5-8,18H,4,9H2,1-3H3