(Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-oxo-but-2-enoic acid CAS Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-oxo-2-butenoic acid IUPAC Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3-[(4-nitrophenyl)methyl]-4-oxobut-2-enoic acid Traditional Name: (Z)-2-(1,3-benzodioxol-5-yl)-4-keto-4-(4-methoxyphenyl)-3-(4-nitrobenzyl)but-2-enoic acid Formula: C25H19NO8 MolecularWeight: 461.42026

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO8/c1-32-19-9-4-16(5-10-19)24(27)20(12-15-2-7-18(8-3-15)26(30)31)23(25(28)29)17-6-11-21-22(13-17)34-14-33-21/h2-11,13H,12,14H2,1H3,(H,28,29)/b23-20-