(4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl benzotriazole-1-carboxylate

Systemtic Name: (4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl benzotriazole-1-carboxylate Openeye Name: (4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl)methyl benzotriazole-1-carboxylate CAS Name: 1-benzotriazolecarboxylic acid (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl benzotriazole-1-carboxylate Traditional Name: benzotriazole-1-carboxylic acid (3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl)methyl ester Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(NC1=O)C2=CC=CC=C2)COC(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1(CN(NC1=O)C2=CC=CC=C2)COC(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H17N5O3/c1-18(11-22(20-16(18)24)13-7-3-2-4-8-13)12-26-17(25)23-15-10-6-5-9-14(15)19-21-23/h2-10H,11-12H2,1H3,(H,20,24)