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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2,5-dimethyl-1-propan-2-yl-pyrrole-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-propan-2-yl-3-pyrrolecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxylate Traditional Name: 1-isopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H20N4O3 MolecularWeight: 340.3764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H20N4O3/c1-11(2)22-12(3)9-15(13(22)4)18(24)25-10-21-17(23)14-7-5-6-8-16(14)19-20-21/h5-9,11H,10H2,1-4H3