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

Systemtic Name: 4-[(4R,7R)-2-azanyl-3-cyano-7-(furan-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4R,7R)-2-amino-3-cyano-7-(2-furyl)-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4R,7R)-2-amino-3-cyano-7-(2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4R,7R)-2-amino-3-cyano-7-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4R,7R)-2-amino-3-cyano-7-(2-furyl)-5-keto-4,6,7,8-tetrahydrochromen-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C22H18N3O7- MolecularWeight: 436.39422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(OC3=C2C(=O)CC(C3)C4=CC=CO4)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2C(=C(OC3=C2C(=O)C[C@@H](C3)C4=CC=CO4)N)C#N

InChI

InChI=1S/C22H19N3O7/c1-2-30-18-9-12(6-14(21(18)27)25(28)29)19-13(10-23)22(24)32-17-8-11(7-15(26)20(17)19)16-4-3-5-31-16/h3-6,9,11,19,27H,2,7-8,24H2,1H3/p-1/t11-,19+/m0/s1