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

Systemtic Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-2-azanyl-4-(2-chloranyl-5-nitro-phenyl)-5-cyano-6-methyl-4H-pyran-3-carboxylate Openeye Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-2-amino-4-(2-chloro-5-nitro-phenyl)-5-cyano-6-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-2-amino-4-(2-chloro-5-nitrophenyl)-5-cyano-6-methyl-4H-pyran-3-carboxylic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester IUPAC Name: 2-(2-methylprop-2-enoyloxy)ethyl (4S)-2-amino-4-(2-chloro-5-nitrophenyl)-5-cyano-6-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-2-amino-4-(2-chloro-5-nitro-phenyl)-5-cyano-6-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(=O)OCCOC(=O)C(=C)C)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O7/c1-10(2)19(25)29-6-7-30-20(26)17-16(14(9-22)11(3)31-18(17)23)13-8-12(24(27)28)4-5-15(13)21/h4-5,8,16H,1,6-7,23H2,2-3H3/t16-/m0/s1