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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-cyclopropyl-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-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N4O3/c1-11-9-15(12(2)22(11)13-7-8-13)18(24)25-10-21-17(23)14-5-3-4-6-16(14)19-20-21/h3-6,9,13H,7-8,10H2,1-2H3