2-[4-[(4S)-2-azanyl-3-cyano-5-oxidanylidene-4H-pyrano[3,2-c]chromen-4-yl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(4S)-2-azanyl-3-cyano-5-oxidanylidene-4H-pyrano[3,2-c]chromen-4-yl]phenoxy]ethanoate Openeye Name: 2-[4-[(4S)-2-amino-3-cyano-5-oxo-4H-pyrano[3,2-c]chromen-4-yl]phenoxy]acetate CAS Name: 2-[4-[(4S)-2-amino-3-cyano-5-oxo-4H-pyrano[3,2-c][1]benzopyran-4-yl]phenoxy]acetate IUPAC Name: 2-[4-[(4S)-2-amino-3-cyano-5-oxo-4H-pyrano[3,2-c]chromen-4-yl]phenoxy]acetate Traditional Name: 2-[4-[(4S)-2-amino-3-cyano-5-keto-4H-pyrano[3,2-c]chromen-4-yl]phenoxy]acetate Formula: C21H13N2O6- MolecularWeight: 389.33772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)OCC(=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC=C2C(=C1)C3=C([C@H](C(=C(O3)N)C#N)C4=CC=C(C=C4)OCC(=O)[O-])C(=O)O2

InChI

InChI=1S/C21H14N2O6/c22-9-14-17(11-5-7-12(8-6-11)27-10-16(24)25)18-19(29-20(14)23)13-3-1-2-4-15(13)28-21(18)26/h1-8,17H,10,23H2,(H,24,25)/p-1/t17-/m0/s1