(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C17H18N4O3/c1-4-20-11(2)9-14(12(20)3)17(23)24-10-21-16(22)13-7-5-6-8-15(13)18-19-21/h5-9H,4,10H2,1-3H3