2-[3-[1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-nitro-phenyl]-2-ethyl-pentanoic acid

Systemtic Name: 2-[3-[1,3-dimethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-nitro-phenyl]-2-ethyl-pentanoic acid Openeye Name: 2-ethyl-2-[3-(2-methoxy-1-methoxycarbonyl-2-oxo-ethyl)-4-nitro-phenyl]pentanoic acid CAS Name: 2-[3-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-4-nitrophenyl]-2-ethylpentanoic acid IUPAC Name: 2-[3-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-4-nitrophenyl]-2-ethylpentanoic acid Traditional Name: 2-[3-(1-carbomethoxy-2-keto-2-methoxy-ethyl)-4-nitro-phenyl]-2-ethyl-valeric acid Formula: C18H23NO8 MolecularWeight: 381.37712

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(C1=CC(=C(C=C1)[N+](=O)[O-])C(C(=O)OC)C(=O)OC)C(=O)O

Isomeric SMILES

CCCC(CC)(C1=CC(=C(C=C1)[N+](=O)[O-])C(C(=O)OC)C(=O)OC)C(=O)O

InChI

InChI=1S/C18H23NO8/c1-5-9-18(6-2,17(22)23)11-7-8-13(19(24)25)12(10-11)14(15(20)26-3)16(21)27-4/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,23)