[2-[bis(cyanomethyl)carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[bis(cyanomethyl)carbamoyl]phenyl] ethanoate Openeye Name: [2-[bis(cyanomethyl)carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[bis(cyanomethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[bis(cyanomethyl)carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[bis(cyanomethyl)carbamoyl]phenyl] ester Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N(CC#N)CC#N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N(CC#N)CC#N

InChI

InChI=1S/C13H11N3O3/c1-10(17)19-12-5-3-2-4-11(12)13(18)16(8-6-14)9-7-15/h2-5H,8-9H2,1H3