butyl 2-[(2-butoxy-2-oxidanylidene-ethyl)-[4-(2,2-diisocyanoethenyl)phenyl]amino]ethanoate

Systemtic Name: butyl 2-[(2-butoxy-2-oxidanylidene-ethyl)-[4-(2,2-diisocyanoethenyl)phenyl]amino]ethanoate Openeye Name: butyl 2-[N-(2-butoxy-2-oxo-ethyl)-4-(2,2-diisocyanovinyl)anilino]acetate CAS Name: 2-[N-(2-butoxy-2-oxoethyl)-4-(2,2-diisocyanoethenyl)anilino]acetic acid butyl ester IUPAC Name: butyl 2-[N-(2-butoxy-2-oxoethyl)-4-(2,2-diisocyanoethenyl)anilino]acetate Traditional Name: 2-[N-(2-butoxy-2-keto-ethyl)-4-(2,2-diisocyanovinyl)anilino]acetic acid butyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN(CC(=O)OCCCC)C1=CC=C(C=C1)C=C([N+]#[C-])[N+]#[C-]

Isomeric SMILES

CCCCOC(=O)CN(CC(=O)OCCCC)C1=CC=C(C=C1)C=C([N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C22H27N3O4/c1-5-7-13-28-21(26)16-25(17-22(27)29-14-8-6-2)19-11-9-18(10-12-19)15-20(23-3)24-4/h9-12,15H,5-8,13-14,16-17H2,1-2H3