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

Systemtic Name: methyl (4S)-6-azanyl-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran-3-carboxylic acid methyl ester Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5/c1-8-12(15(19)22-2)13(10(7-16)14(17)23-8)9-5-3-4-6-11(9)18(20)21/h3-6,13H,17H2,1-2H3/t13-/m0/s1