[3-[[(1S)-2-azanylidene-1,2-dicyano-ethyl]iminomethyl]phenyl] ethanoate

Systemtic Name: [3-[[(1S)-2-azanylidene-1,2-dicyano-ethyl]iminomethyl]phenyl] ethanoate Openeye Name: [3-[[(1S)-1,2-dicyano-2-imino-ethyl]iminomethyl]phenyl] acetate CAS Name: acetic acid [3-[[(1S)-1,2-dicyano-2-iminoethyl]iminomethyl]phenyl] ester IUPAC Name: [3-[[(1S)-1,2-dicyano-2-iminoethyl]iminomethyl]phenyl] acetate Traditional Name: acetic acid [3-[[(1S)-1,2-dicyano-2-imino-ethyl]iminomethyl]phenyl] ester Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C=NC(C#N)C(=N)C#N

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C=N[C@H](C#N)C(=N)C#N

InChI

InChI=1S/C13H10N4O2/c1-9(18)19-11-4-2-3-10(5-11)8-17-13(7-15)12(16)6-14/h2-5,8,13,16H,1H3/t13-/m1/s1