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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methyl-3-(3-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-3-(4-hydroxy-3-nitro-phenyl)-2-methyl-propanoic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(4-hydroxy-3-nitrophenyl)-2-methylpropanoic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-3-(4-hydroxy-3-nitrophenyl)-2-methylpropanoic acid Traditional Name: 3-(4-hydroxy-3-nitro-phenyl)-2-methyl-2-phthalimido-propionic acid Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O

InChI

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