methyl 3-[(3E)-3-(5-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: methyl 3-[(3E)-3-(5-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: methyl 3-[(3E)-3-(5-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-3-(5-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3E)-3-(5-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-3-(5-butyl-1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C2C(=NNN2)C1=C3C=C(C=CC3=O)CCC(=O)OC

Isomeric SMILES

CCCCC\1=CC=C2C(=NNN2)/C1=C/3\C=C(C=CC3=O)CCC(=O)OC

InChI

InChI=1S/C20H23N3O3/c1-3-4-5-14-8-9-16-20(22-23-21-16)19(14)15-12-13(6-10-17(15)24)7-11-18(25)26-2/h6,8-10,12,21,23H,3-5,7,11H2,1-2H3/b19-15+