(4S)-2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-ethanoyl-6-methyl-4H-pyran-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(4-chloranyl-3-nitro-phenyl)-5-ethanoyl-6-methyl-4H-pyran-3-carbonitrile Openeye Name: (4S)-5-acetyl-2-amino-4-(4-chloro-3-nitro-phenyl)-6-methyl-4H-pyran-3-carbonitrile CAS Name: (4S)-5-acetyl-2-amino-4-(4-chloro-3-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile IUPAC Name: (4S)-5-acetyl-2-amino-4-(4-chloro-3-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile Traditional Name: (4S)-5-acetyl-2-amino-4-(4-chloro-3-nitro-phenyl)-6-methyl-4H-pyran-3-carbonitrile Formula: C15H12ClN3O4 MolecularWeight: 333.72648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O4/c1-7(20)13-8(2)23-15(18)10(6-17)14(13)9-3-4-11(16)12(5-9)19(21)22/h3-5,14H,18H2,1-2H3/t14-/m0/s1