methyl (4S)-6-azanyl-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-2-(2-methoxy-2-oxidanylidene-ethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxo-ethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-2-(2-methoxy-2-oxoethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-(2-keto-2-methoxy-ethyl)-4-(2-nitrophenyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7/c1-25-13(21)7-12-15(17(22)26-2)14(10(8-18)16(19)27-12)9-5-3-4-6-11(9)20(23)24/h3-6,14H,7,19H2,1-2H3/t14-/m0/s1