methyl 4-[[(1S)-2-azanylidene-1,2-dicyano-ethyl]iminomethylamino]benzoate

Systemtic Name: methyl 4-[[(1S)-2-azanylidene-1,2-dicyano-ethyl]iminomethylamino]benzoate Openeye Name: methyl 4-[[(1S)-1,2-dicyano-2-imino-ethyl]iminomethylamino]benzoate CAS Name: 4-[[(1S)-1,2-dicyano-2-iminoethyl]iminomethylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-1,2-dicyano-2-iminoethyl]iminomethylamino]benzoate Traditional Name: 4-[[(1S)-1,2-dicyano-2-imino-ethyl]iminomethylamino]benzoic acid methyl ester Formula: C13H11N5O2 MolecularWeight: 269.25874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5O2/c1-20-13(19)9-2-4-10(5-3-9)17-8-18-12(7-15)11(16)6-14/h2-5,8,12,16H,1H3,(H,17,18)/t12-/m1/s1