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

Systemtic Name: 2-[4-[1-azanyl-3-(4-nitrophenyl)-1-oxidanylidene-propan-2-yl]phenyl]propan-2-ylphosphonic acid Openeye Name: [1-[4-[2-amino-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]phenyl]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[4-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]phenyl]propan-2-ylphosphonic acid IUPAC Name: 2-[4-[1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]phenyl]propan-2-ylphosphonic acid Traditional Name: [1-[4-[2-amino-2-keto-1-(4-nitrobenzyl)ethyl]phenyl]-1-methyl-ethyl]phosphonic acid Formula: C18H21N2O6P MolecularWeight: 392.342901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N2O6P/c1-18(2,27(24,25)26)14-7-5-13(6-8-14)16(17(19)21)11-12-3-9-15(10-4-12)20(22)23/h3-10,16H,11H2,1-2H3,(H2,19,21)(H2,24,25,26)