3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoic acid CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionic acid Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N2O8/c1-3-30-16-9-11(7-8-15(16)29-2)14(10-17(23)24)21-19(25)12-5-4-6-13(22(27)28)18(12)20(21)26/h4-9,14H,3,10H2,1-2H3,(H,23,24)