3-[4-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[2-amino-2-keto-1-(4-nitrobenzyl)ethyl]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C20H25N2O6P MolecularWeight: 420.396061

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N)P(=O)(O)O

InChI

InChI=1S/C20H25N2O6P/c1-3-20(4-2,29(26,27)28)16-9-7-15(8-10-16)18(19(21)23)13-14-5-11-17(12-6-14)22(24)25/h5-12,18H,3-4,13H2,1-2H3,(H2,21,23)(H2,26,27,28)