sodium (Z)-2-(1,3-benzodioxol-4-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (Z)-2-(1,3-benzodioxol-4-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoate Openeye Name: sodium (Z)-2-(1,3-benzodioxol-4-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methoxyphenyl)-4-oxo-but-2-enoate CAS Name: sodium (Z)-2-(1,3-benzodioxol-4-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methoxyphenyl)-4-oxo-2-butenoate IUPAC Name: sodium (Z)-2-(1,3-benzodioxol-4-yl)-3-[[3-(dimethylamino)phenyl]methyl]-4-(4-methoxyphenyl)-4-oxobut-2-enoate Traditional Name: sodium (Z)-2-(1,3-benzodioxol-4-yl)-3-[3-(dimethylamino)benzyl]-4-keto-4-(4-methoxyphenyl)but-2-enoate Formula: C27H24NNaO6 MolecularWeight: 481.47233

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)CC(=C(C2=C3C(=CC=C2)OCO3)C(=O)[O-])C(=O)C4=CC=C(C=C4)OC.[Na+]

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C/C(=C(\C2=C3C(=CC=C2)OCO3)/C(=O)[O-])/C(=O)C4=CC=C(C=C4)OC.[Na+]

InChI

InChI=1S/C27H25NO6.Na/c1-28(2)19-7-4-6-17(14-19)15-22(25(29)18-10-12-20(32-3)13-11-18)24(27(30)31)21-8-5-9-23-26(21)34-16-33-23;/h4-14H,15-16H2,1-3H3,(H,30,31);/q;+1/p-1/b24-22-;