(4S)-2-azanyl-4-(3,5-dinitro-4-oxidanyl-phenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(3,5-dinitro-4-oxidanyl-phenyl)-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-3-carbonitrile Openeye Name: (4S)-2-amino-4-(4-hydroxy-3,5-dinitro-phenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile CAS Name: (4S)-2-amino-4-(4-hydroxy-3,5-dinitrophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(4-hydroxy-3,5-dinitrophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile Traditional Name: (4S)-2-amino-4-(4-hydroxy-3,5-dinitro-phenyl)-5-keto-7-methyl-4H-pyrano[3,2-c]pyran-3-carbonitrile Formula: C16H10N4O8 MolecularWeight: 386.2726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CC1=CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C16H10N4O8/c1-6-2-11-13(16(22)27-6)12(8(5-17)15(18)28-11)7-3-9(19(23)24)14(21)10(4-7)20(25)26/h2-4,12,21H,18H2,1H3/t12-/m0/s1