tert-butyl 1-[cyclopropylidene(phenyl)methyl]-3-methyl-5-oxidanylidene-1,2,4-triazole-4-carboxylate

Systemtic Name: tert-butyl 1-[cyclopropylidene(phenyl)methyl]-3-methyl-5-oxidanylidene-1,2,4-triazole-4-carboxylate Openeye Name: tert-butyl 1-[cyclopropylidene(phenyl)methyl]-3-methyl-5-oxo-1,2,4-triazole-4-carboxylate CAS Name: 1-[cyclopropylidene(phenyl)methyl]-3-methyl-5-oxo-1,2,4-triazole-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[cyclopropylidene(phenyl)methyl]-3-methyl-5-oxo-1,2,4-triazole-4-carboxylate Traditional Name: 1-[cyclopropylidene(phenyl)methyl]-5-keto-3-methyl-1,2,4-triazole-4-carboxylic acid tert-butyl ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)C(=C2CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)N1C(=O)OC(C)(C)C)C(=C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3/c1-12-19-21(16(22)20(12)17(23)24-18(2,3)4)15(14-10-11-14)13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3