4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]-2-methoxy-6-nitro-phenolate Formula: C19H18N3O6- MolecularWeight: 384.36272

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

InChI

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