3-[5,6-dimethoxy-1-(4-nitrophenyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]propanoic acid

Systemtic Name: 3-[5,6-dimethoxy-1-(4-nitrophenyl)-3-oxidanylidene-1,2-dihydroinden-2-yl]propanoic acid Openeye Name: 3-[5,6-dimethoxy-1-(4-nitrophenyl)-3-oxo-indan-2-yl]propanoic acid CAS Name: 3-[5,6-dimethoxy-1-(4-nitrophenyl)-3-oxo-1,2-dihydroinden-2-yl]propanoic acid IUPAC Name: 3-[5,6-dimethoxy-1-(4-nitrophenyl)-3-oxo-1,2-dihydroinden-2-yl]propanoic acid Traditional Name: 3-[1-keto-5,6-dimethoxy-3-(4-nitrophenyl)indan-2-yl]propionic acid Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(C(C2=O)CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(C(C2=O)CCC(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19NO7/c1-27-16-9-14-15(10-17(16)28-2)20(24)13(7-8-18(22)23)19(14)11-3-5-12(6-4-11)21(25)26/h3-6,9-10,13,19H,7-8H2,1-2H3,(H,22,23)