3-(4-cyclopropyl-2-nitro-phenoxy)pentan-3-ylphosphonic acid

Systemtic Name: 3-(4-cyclopropyl-2-nitro-phenoxy)pentan-3-ylphosphonic acid Openeye Name: [1-(4-cyclopropyl-2-nitro-phenoxy)-1-ethyl-propyl]phosphonic acid CAS Name: 3-(4-cyclopropyl-2-nitrophenoxy)pentan-3-ylphosphonic acid IUPAC Name: 3-(4-cyclopropyl-2-nitrophenoxy)pentan-3-ylphosphonic acid Traditional Name: [1-(4-cyclopropyl-2-nitro-phenoxy)-1-ethyl-propyl]phosphonic acid Formula: C14H20NO6P MolecularWeight: 329.285461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=C(C=C(C=C1)C2CC2)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=C(C=C(C=C1)C2CC2)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C14H20NO6P/c1-3-14(4-2,22(18,19)20)21-13-8-7-11(10-5-6-10)9-12(13)15(16)17/h7-10H,3-6H2,1-2H3,(H2,18,19,20)