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

Systemtic Name: 2-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-4-nitro-phenolate CAS Name: 2-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-4-nitrophenolate Traditional Name: 2-[(4S)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]-4-nitro-phenolate Formula: C18H16N3O5- MolecularWeight: 354.33674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5/c1-18(2)6-13(23)16-14(7-18)26-17(20)11(8-19)15(16)10-5-9(21(24)25)3-4-12(10)22/h3-5,15,22H,6-7,20H2,1-2H3/p-1/t15-/m0/s1