(2R)-2-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2R)-2-[(7-oxidanyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]-2-phenyl-acetate CAS Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-6-yl)methylammonio]-2-phenylacetate IUPAC Name: (2R)-2-[(7-hydroxy-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylazaniumyl]-2-phenylacetate Traditional Name: (2R)-2-[(7-hydroxy-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-6-yl)methylammonio]-2-phenyl-acetate Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3C[NH2+]C(C4=CC=CC=C4)C(=O)[O-])O

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3C[NH2+][C@H](C4=CC=CC=C4)C(=O)[O-])O

InChI

InChI=1S/C21H19NO5/c23-17-10-9-14-13-7-4-8-15(13)21(26)27-19(14)16(17)11-22-18(20(24)25)12-5-2-1-3-6-12/h1-3,5-6,9-10,18,22-23H,4,7-8,11H2,(H,24,25)/t18-/m1/s1