3-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azaniumylpropanoate

Systemtic Name: 3-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azaniumylpropanoate Openeye Name: 3-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]ammoniopropanoate CAS Name: 3-[[6-ethyl-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonio]propanoate IUPAC Name: 3-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azaniumylpropanoate Traditional Name: 3-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]ammoniopropionate Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-3-14-4-9-19-17(12-14)18(22-11-10-21(23)24)13-20(26-19)15-5-7-16(25-2)8-6-15/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,24)