ethyl 1-[(E)-4-ethoxy-1-naphthalen-1-yl-4-oxidanylidene-but-1-en-2-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[(E)-4-ethoxy-1-naphthalen-1-yl-4-oxidanylidene-but-1-en-2-yl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[(1E)-3-ethoxy-1-(1-naphthylmethylene)-3-oxo-propyl]triazole-4-carboxylate CAS Name: 1-[(E)-4-ethoxy-1-(1-naphthalenyl)-4-oxobut-1-en-2-yl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-4-ethoxy-1-naphthalen-1-yl-4-oxobut-1-en-2-yl]triazole-4-carboxylate Traditional Name: 1-[(E)-1-(2-ethoxy-2-keto-ethyl)-2-(1-naphthyl)vinyl]triazole-4-carboxylic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=CC1=CC=CC2=CC=CC=C21)N3C=C(N=N3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C/C(=C\C1=CC=CC2=CC=CC=C21)/N3C=C(N=N3)C(=O)OCC

InChI

InChI=1S/C21H21N3O4/c1-3-27-20(25)13-17(24-14-19(22-23-24)21(26)28-4-2)12-16-10-7-9-15-8-5-6-11-18(15)16/h5-12,14H,3-4,13H2,1-2H3/b17-12+