(4S)-2-azanyl-5-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-5-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile Openeye Name: (4S)-2-amino-5-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile CAS Name: (4S)-2-amino-5-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile IUPAC Name: (4S)-2-amino-5-(hydroxymethyl)-6-methyl-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile Traditional Name: (4S)-2-amino-6-methyl-5-methylol-4-(3-nitrophenyl)-4H-pyran-3-carbonitrile Formula: C14H13N3O4 MolecularWeight: 287.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-8-12(7-18)13(11(6-15)14(16)21-8)9-3-2-4-10(5-9)17(19)20/h2-5,13,18H,7,16H2,1H3/t13-/m1/s1