2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-azanyl-4-(3-chloranyl-4-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-azanyl-4-(3-chloranyl-4-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-amino-4-(3-chloro-4-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-(3-chloro-4-nitrophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-6-amino-4-(3-chloro-4-nitrophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-(3-chloro-4-nitro-phenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-methacryloyloxyethyl ester Formula: C20H18ClN3O7 MolecularWeight: 447.82582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCCOC(=O)C(=C)C

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=C(C=C2)[N+](=O)[O-])Cl)C(=O)OCCOC(=O)C(=C)C

InChI

InChI=1S/C20H18ClN3O7/c1-10(2)19(25)29-6-7-30-20(26)16-11(3)31-18(23)13(9-22)17(16)12-4-5-15(24(27)28)14(21)8-12/h4-5,8,17H,1,6-7,23H2,2-3H3/t17-/m0/s1