4-[(4S)-2-azanyl-3-cyano-6,7-dimethyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4S)-2-azanyl-3-cyano-6,7-dimethyl-5-oxidanylidene-4H-pyrano[3,2-c]pyridin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-2-amino-3-cyano-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4S)-2-amino-3-cyano-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-2-amino-3-cyano-6,7-dimethyl-5-oxo-4H-pyrano[3,2-c]pyridin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4S)-2-amino-3-cyano-5-keto-6,7-dimethyl-4H-pyrano[3,2-c]pyridin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C18H15N4O6- MolecularWeight: 383.3349

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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)N1C

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)N1C

InChI

InChI=1S/C18H16N4O6/c1-8-4-12-15(18(24)21(8)2)14(10(7-19)17(20)28-12)9-5-11(22(25)26)16(23)13(6-9)27-3/h4-6,14,23H,20H2,1-3H3/p-1/t14-/m0/s1