methyl (1S,3S)-1,2,2-tricyano-3-(4-methoxyphenyl)cyclobutane-1-carboxylate

Systemtic Name: methyl (1S,3S)-1,2,2-tricyano-3-(4-methoxyphenyl)cyclobutane-1-carboxylate Openeye Name: methyl (1S,3S)-1,2,2-tricyano-3-(4-methoxyphenyl)cyclobutanecarboxylate CAS Name: (1S,3S)-1,2,2-tricyano-3-(4-methoxyphenyl)-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl (1S,3S)-1,2,2-tricyano-3-(4-methoxyphenyl)cyclobutane-1-carboxylate Traditional Name: (1S,3S)-1,2,2-tricyano-3-(4-methoxyphenyl)cyclobutanecarboxylic acid methyl ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(C2(C#N)C#N)(C#N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C[C@](C2(C#N)C#N)(C#N)C(=O)OC

InChI

InChI=1S/C16H13N3O3/c1-21-12-5-3-11(4-6-12)13-7-15(8-17,14(20)22-2)16(13,9-18)10-19/h3-6,13H,7H2,1-2H3/t13-,15-/m0/s1