sodium (Z)-3-[(3-aminophenyl)methyl]-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoate

Systemtic Name: sodium (Z)-3-[(3-aminophenyl)methyl]-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxidanylidene-but-2-enoate Openeye Name: sodium (Z)-3-[(3-aminophenyl)methyl]-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-but-2-enoate CAS Name: sodium (Z)-3-[(3-aminophenyl)methyl]-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxo-2-butenoate IUPAC Name: sodium (Z)-3-[(3-aminophenyl)methyl]-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-4-oxobut-2-enoate Traditional Name: sodium (Z)-3-(3-aminobenzyl)-2-(1,3-benzodioxol-5-yl)-4-keto-4-(4-methoxyphenyl)but-2-enoate Formula: C25H20NNaO6 MolecularWeight: 453.41917

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)[O-])CC4=CC(=CC=C4)N.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)[O-])/CC4=CC(=CC=C4)N.[Na+]

InChI

InChI=1S/C25H21NO6.Na/c1-30-19-8-5-16(6-9-19)24(27)20(12-15-3-2-4-18(26)11-15)23(25(28)29)17-7-10-21-22(13-17)32-14-31-21;/h2-11,13H,12,14,26H2,1H3,(H,28,29);/q;+1/p-1/b23-20-;