(2S)-2-[2-(1,3-benzodioxol-5-yl)-6-methyl-chromen-4-ylidene]azaniumylpropanoate

Systemtic Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)-6-methyl-chromen-4-ylidene]azaniumylpropanoate Openeye Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)-6-methyl-chromen-4-ylidene]ammoniopropanoate CAS Name: (2S)-2-[[2-(1,3-benzodioxol-5-yl)-6-methyl-1-benzopyran-4-ylidene]ammonio]propanoate IUPAC Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)-6-methylchromen-4-ylidene]azaniumylpropanoate Traditional Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)-6-methyl-chromen-4-ylidene]ammoniopropionate Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=[NH+]C(C)C(=O)[O-])C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=[NH+][C@@H](C)C(=O)[O-])C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17NO5/c1-11-3-5-16-14(7-11)15(21-12(2)20(22)23)9-18(26-16)13-4-6-17-19(8-13)25-10-24-17/h3-9,12H,10H2,1-2H3,(H,22,23)/t12-/m0/s1