methyl 3-[(4Z)-4-(5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydrobenzotriazol-5-yl]propanoate

Systemtic Name: methyl 3-[(4Z)-4-(5-tert-butyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydrobenzotriazol-5-yl]propanoate Openeye Name: methyl 3-[(4Z)-4-(5-tert-butyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydrobenzotriazol-5-yl]propanoate CAS Name: 3-[(4Z)-4-(5-tert-butyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydrobenzotriazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(4Z)-4-(5-tert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydrobenzotriazol-5-yl]propanoate Traditional Name: 3-[(4Z)-4-(5-tert-butyl-6-keto-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydrobenzotriazol-5-yl]propionic acid methyl ester Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C2C(=CC=C3C2=NNN3)CCC(=O)OC)C1=O

Isomeric SMILES

CC(C)(C)C1=CC=C/C(=C/2\C(=CC=C3C2=NNN3)CCC(=O)OC)/C1=O

InChI

InChI=1S/C20H23N3O3/c1-20(2,3)14-7-5-6-13(19(14)25)17-12(9-11-16(24)26-4)8-10-15-18(17)22-23-21-15/h5-8,10,21,23H,9,11H2,1-4H3/b17-13-