2-[2-(6-ethyl-2-phenyl-chromen-4-ylidene)azaniumylethanoylamino]ethanoate

Systemtic Name: 2-[2-(6-ethyl-2-phenyl-chromen-4-ylidene)azaniumylethanoylamino]ethanoate Openeye Name: 2-[[2-(6-ethyl-2-phenyl-chromen-4-ylidene)ammonioacetyl]amino]acetate CAS Name: 2-[[2-[(6-ethyl-2-phenyl-1-benzopyran-4-ylidene)ammonio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-(6-ethyl-2-phenylchromen-4-ylidene)azaniumylacetyl]amino]acetate Traditional Name: 2-[[2-(6-ethyl-2-phenyl-chromen-4-ylidene)ammonioacetyl]amino]acetate Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=[NH+]CC(=O)NCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=[NH+]CC(=O)NCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-2-14-8-9-18-16(10-14)17(22-12-20(24)23-13-21(25)26)11-19(27-18)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,23,24)(H,25,26)