4-[(4R)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4R)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4R)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4R)-2-amino-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyran-4-yl]-2-methoxy-6-nitro-phenolate Formula: C17H12N3O7- MolecularWeight: 370.29308

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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)O1

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)O1

InChI

InChI=1S/C17H13N3O7/c1-7-3-11-14(17(22)26-7)13(9(6-18)16(19)27-11)8-4-10(20(23)24)15(21)12(5-8)25-2/h3-5,13,21H,19H2,1-2H3/p-1/t13-/m1/s1