[ethyl-(3-isocyanato-4-methyl-phenyl)carbonyl-carbamoyl] prop-2-eneperoxoate

Systemtic Name: [ethyl-(3-isocyanato-4-methyl-phenyl)carbonyl-carbamoyl] prop-2-eneperoxoate Openeye Name: [ethyl-(3-isocyanato-4-methyl-benzoyl)carbamoyl] prop-2-eneperoxoate CAS Name: 2-propeneperoxoic acid [[ethyl-[(3-isocyanato-4-methylphenyl)-oxomethyl]amino]-oxomethyl] ester IUPAC Name: [ethyl-(3-isocyanato-4-methylbenzoyl)carbamoyl] prop-2-eneperoxoate Traditional Name: peroxyacrylic acid [ethyl-(3-isocyanato-4-methyl-benzoyl)carbamoyl] ester Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=CC(=C(C=C1)C)N=C=O)C(=O)OOC(=O)C=C

Isomeric SMILES

CCN(C(=O)C1=CC(=C(C=C1)C)N=C=O)C(=O)OOC(=O)C=C

InChI

InChI=1S/C15H14N2O6/c1-4-13(19)22-23-15(21)17(5-2)14(20)11-7-6-10(3)12(8-11)16-9-18/h4,6-8H,1,5H2,2-3H3