methyl 4-[3-[2-(6-chloranylbenzotriazol-1-yl)oxyethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(6-chloranylbenzotriazol-1-yl)oxyethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[2-[(6-chloro-1-benzotriazolyl)oxy]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[2-(6-chlorobenzotriazol-1-yl)oxyacetyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C22H19ClN4O4 MolecularWeight: 438.86366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CON3C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CON3C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C22H19ClN4O4/c1-13-10-18(14(2)26(13)17-7-4-15(5-8-17)22(29)30-3)21(28)12-31-27-20-11-16(23)6-9-19(20)24-25-27/h4-11H,12H2,1-3H3