methyl 3-[(3Z)-3-(2-butyl-1H-benzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: methyl 3-[(3Z)-3-(2-butyl-1H-benzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: methyl 3-[(3Z)-3-(2-butyl-1H-benzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3Z)-3-(2-butyl-1H-benzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3Z)-3-(2-butyl-1H-benzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3Z)-3-(2-butyl-1H-benzotriazol-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:

CCCCN1NC2=CC=CC(=C3C=C(C=CC3=O)CCC(=O)OC)C2=N1

Isomeric SMILES

CCCCN1NC2=CC=C/C(=C/3\C=C(C=CC3=O)CCC(=O)OC)/C2=N1

InChI

InChI=1S/C20H23N3O3/c1-3-4-12-23-21-17-7-5-6-15(20(17)22-23)16-13-14(8-10-18(16)24)9-11-19(25)26-2/h5-8,10,13,21H,3-4,9,11-12H2,1-2H3/b16-15-