ethyl 2-[[2-chloranyl-4-(2,2-diisocyanoethenyl)-5-methyl-phenyl]-ethyl-amino]ethanoate

Systemtic Name: ethyl 2-[[2-chloranyl-4-(2,2-diisocyanoethenyl)-5-methyl-phenyl]-ethyl-amino]ethanoate Openeye Name: ethyl 2-[2-chloro-4-(2,2-diisocyanovinyl)-N-ethyl-5-methyl-anilino]acetate CAS Name: 2-[2-chloro-4-(2,2-diisocyanoethenyl)-N-ethyl-5-methylanilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-chloro-4-(2,2-diisocyanoethenyl)-N-ethyl-5-methylanilino]acetate Traditional Name: 2-[2-chloro-4-(2,2-diisocyanovinyl)-N-ethyl-5-methyl-anilino]acetic acid ethyl ester Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)OCC)C1=C(C=C(C(=C1)C)C=C([N+]#[C-])[N+]#[C-])Cl

Isomeric SMILES

CCN(CC(=O)OCC)C1=C(C=C(C(=C1)C)C=C([N+]#[C-])[N+]#[C-])Cl

InChI

InChI=1S/C17H18ClN3O2/c1-6-21(11-17(22)23-7-2)15-8-12(3)13(9-14(15)18)10-16(19-4)20-5/h8-10H,6-7,11H2,1-3H3