3-(4-methoxyphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoic acid CAS Name: 3-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)propanoic acid IUPAC Name: 3-(4-methoxyphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoic acid Traditional Name: 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-(4-methoxyphenyl)propionic acid Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7/c1-27-12-5-2-10(3-6-12)15(9-16(21)22)19-17(23)13-7-4-11(20(25)26)8-14(13)18(19)24/h2-8,15H,9H2,1H3,(H,21,22)