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

Systemtic Name: 4-[(4S)-2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-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-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4S)-2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C20H20N3O6- MolecularWeight: 398.3893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N

InChI

InChI=1S/C20H21N3O6/c1-4-28-14-6-10(5-12(18(14)25)23(26)27)16-11(9-21)19(22)29-15-8-20(2,3)7-13(24)17(15)16/h5-6,16,25H,4,7-8,22H2,1-3H3/p-1/t16-/m0/s1