(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3)C

InChI

InChI=1S/C21H18N4O3/c1-14-7-8-15(2)25(14)17-11-9-16(10-12-17)21(27)28-13-24-20(26)18-5-3-4-6-19(18)22-23-24/h3-12H,13H2,1-2H3