(4S)-2-azanyl-4-(4-methoxy-3-nitro-5-oxidanyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile

Systemtic Name: (4S)-2-azanyl-4-(4-methoxy-3-nitro-5-oxidanyl-phenyl)-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carbonitrile Openeye Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitro-phenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile CAS Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carbonitrile IUPAC Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile Traditional Name: (4S)-2-amino-4-(3-hydroxy-4-methoxy-5-nitro-phenyl)-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromene-3-carbonitrile Formula: C19H19N3O6 MolecularWeight: 385.37066

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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)O)OC)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)C#N)C3=CC(=C(C(=C3)O)OC)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C19H19N3O6/c1-19(2)6-13(24)16-14(7-19)28-18(21)10(8-20)15(16)9-4-11(22(25)26)17(27-3)12(23)5-9/h4-5,15,23H,6-7,21H2,1-3H3/t15-/m0/s1