[4-(2-chloranylethanoylamino)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-chloranylethanoate

Systemtic Name: [4-(2-chloranylethanoylamino)-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-chloranylethanoate Openeye Name: [4-[(2-chloroacetyl)amino]-6-cyano-2,2-dimethyl-chroman-3-yl] 2-chloroacetate CAS Name: 2-chloroacetic acid [4-[(2-chloro-1-oxoethyl)amino]-6-cyano-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [4-[(2-chloroacetyl)amino]-6-cyano-2,2-dimethyl-3,4-dihydrochromen-3-yl] 2-chloroacetate Traditional Name: 2-chloroacetic acid [4-[(2-chloroacetyl)amino]-6-cyano-2,2-dimethyl-chroman-3-yl] ester Formula: C16H16Cl2N2O4 MolecularWeight: 371.21524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)CCl)OC(=O)CCl)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)CCl)OC(=O)CCl)C

InChI

InChI=1S/C16H16Cl2N2O4/c1-16(2)15(23-13(22)7-18)14(20-12(21)6-17)10-5-9(8-19)3-4-11(10)24-16/h3-5,14-15H,6-7H2,1-2H3,(H,20,21)