methyl 5-[3-(benzotriazol-1-yl)prop-1-ynyl]-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[3-(benzotriazol-1-yl)prop-1-ynyl]-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[3-(benzotriazol-1-yl)prop-1-ynyl]-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate CAS Name: 5-[3-(1-benzotriazolyl)prop-1-ynyl]-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[3-(benzotriazol-1-yl)prop-1-ynyl]-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(benzotriazol-1-yl)prop-1-ynyl]-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OC)C=O)C#CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OC)C=O)C#CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H16N4O3/c1-3-12-13(19-15(11-23)17(12)18(24)25-2)8-6-10-22-16-9-5-4-7-14(16)20-21-22/h4-5,7,9,11,19H,3,10H2,1-2H3