3-(3-methoxycarbonyl-2-nitro-phenyl)pentan-3-ylphosphonic acid

Systemtic Name: 3-(3-methoxycarbonyl-2-nitro-phenyl)pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-(3-methoxycarbonyl-2-nitro-phenyl)propyl]phosphonic acid CAS Name: 3-(3-methoxycarbonyl-2-nitrophenyl)pentan-3-ylphosphonic acid IUPAC Name: 3-(3-methoxycarbonyl-2-nitrophenyl)pentan-3-ylphosphonic acid Traditional Name: [1-(3-carbomethoxy-2-nitro-phenyl)-1-ethyl-propyl]phosphonic acid Formula: C13H18NO7P MolecularWeight: 331.258281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO7P/c1-4-13(5-2,22(18,19)20)10-8-6-7-9(12(15)21-3)11(10)14(16)17/h6-8H,4-5H2,1-3H3,(H2,18,19,20)