(3-phenyl-1,2-diazirin-3-yl) 4-methylbenzoate

Systemtic Name: (3-phenyl-1,2-diazirin-3-yl) 4-methylbenzoate Openeye Name: (3-phenyldiazirin-3-yl) 4-methylbenzoate CAS Name: 4-methylbenzoic acid (3-phenyl-3-diazirinyl) ester IUPAC Name: (3-phenyldiazirin-3-yl) 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (3-phenyldiazirin-3-yl) ester Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O2/c1-11-7-9-12(10-8-11)14(18)19-15(16-17-15)13-5-3-2-4-6-13/h2-10H,1H3