3-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylpropanoate

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]azaniumylpropanoate Openeye Name: 3-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammoniopropanoate CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-6-methyl-1-benzopyran-4-ylidene]ammonio]propanoate IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-6-methylchromen-4-ylidene]azaniumylpropanoate Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-6-methyl-chromen-4-ylidene]ammoniopropionate Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC(=O)[O-])C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC(=O)[O-])C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21NO5/c1-13-4-6-17-15(10-13)16(22-9-8-21(23)24)12-19(27-17)14-5-7-18(25-2)20(11-14)26-3/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)