[(E)-(phenylmethylidene)amino] 4-butan-2-yl-2-cyano-6-isocyano-benzoate

Systemtic Name: [(E)-(phenylmethylidene)amino] 4-butan-2-yl-2-cyano-6-isocyano-benzoate Openeye Name: [(E)-benzylideneamino] 2-cyano-6-isocyano-4-sec-butyl-benzoate CAS Name: 4-butan-2-yl-2-cyano-6-isocyanobenzoic acid [(E)-(phenylmethylene)amino] ester IUPAC Name: [(E)-benzylideneamino] 4-butan-2-yl-2-cyano-6-isocyanobenzoate Traditional Name: 2-cyano-6-isocyano-4-sec-butyl-benzoic acid [(E)-benzalamino] ester Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)C#N)C(=O)ON=CC2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)C#N)C(=O)O/N=C/C2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C20H17N3O2/c1-4-14(2)16-10-17(12-21)19(18(11-16)22-3)20(24)25-23-13-15-8-6-5-7-9-15/h5-11,13-14H,4H2,1-2H3/b23-13+