(3-oxidanylidenecyclohexen-1-yl) 2-methyl-4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 2-methyl-4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (3-oxocyclohexen-1-yl) 2-methyl-4-(1,2,4-triazol-1-yl)benzoate CAS Name: 2-methyl-4-(1,2,4-triazol-1-yl)benzoic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 2-methyl-4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 2-methyl-4-(1,2,4-triazol-1-yl)benzoic acid (3-ketocyclohexen-1-yl) ester Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=NC=N2)C(=O)OC3=CC(=O)CCC3

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=NC=N2)C(=O)OC3=CC(=O)CCC3

InChI

InChI=1S/C16H15N3O3/c1-11-7-12(19-10-17-9-18-19)5-6-15(11)16(21)22-14-4-2-3-13(20)8-14/h5-10H,2-4H2,1H3