3-cyclohexyl-2-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: 3-cyclohexyl-2-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: 3-cyclohexyl-2-(5-nitro-1-oxo-isoindolin-2-yl)propanoic acid CAS Name: 3-cyclohexyl-2-(6-nitro-3-oxo-1H-isoindol-2-yl)propanoic acid IUPAC Name: 3-cyclohexyl-2-(6-nitro-3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-cyclohexyl-2-(1-keto-5-nitro-isoindolin-2-yl)propionic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)O)N2CC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CC(C(=O)O)N2CC3=C(C2=O)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5/c20-16-14-7-6-13(19(23)24)9-12(14)10-18(16)15(17(21)22)8-11-4-2-1-3-5-11/h6-7,9,11,15H,1-5,8,10H2,(H,21,22)