methyl N-[3-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-chloranyl-phenyl]carbamate

Systemtic Name: methyl N-[3-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)-2-chloranyl-phenyl]carbamate Openeye Name: methyl N-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-chloro-phenyl]carbamate CAS Name: N-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-chlorophenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-chlorophenyl]carbamate Traditional Name: N-[3-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-chloro-phenyl]carbamic acid methyl ester Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=CC=C3)NC(=O)OC)Cl)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=C(C(=CC=C3)NC(=O)OC)Cl)C(=O)C1)C

InChI

InChI=1S/C20H20ClN3O4/c1-20(2)7-13(25)16-14(8-20)28-18(23)11(9-22)15(16)10-5-4-6-12(17(10)21)24-19(26)27-3/h4-6,15H,7-8,23H2,1-3H3,(H,24,26)