4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(4R)-2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4R)-2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4R)-2-amino-3-cyano-5-keto-4,6,7,8-tetrahydrochromen-4-yl]-2-methoxy-6-nitro-phenolate Formula: C17H14N3O6- MolecularWeight: 356.30956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(OC3=C2C(=O)CCC3)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N

InChI

InChI=1S/C17H15N3O6/c1-25-13-6-8(5-10(16(13)22)20(23)24)14-9(7-18)17(19)26-12-4-2-3-11(21)15(12)14/h5-6,14,22H,2-4,19H2,1H3/p-1/t14-/m1/s1