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

Systemtic Name: ethyl 2-[(2-butoxy-2-oxidanylidene-ethyl)-[4-(2,2-diisocyanoethenyl)phenyl]amino]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-5-7-12-27-20(25)15-23(14-19(24)26-6-2)17-10-8-16(9-11-17)13-18(21-3)22-4/h8-11,13H,5-7,12,14-15H2,1-2H3