[4-[[2-azanylethyl-[(5-nitrofuran-2-yl)methyl]amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-[(5-nitrofuran-2-yl)methyl]amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-[(5-nitro-2-furyl)methyl]amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(5-nitro-2-furanyl)methyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-[(5-nitrofuran-2-yl)methyl]amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl-[(5-nitro-2-furyl)methyl]amino]methyl]benzyl]phosphonic acid Formula: C15H20N3O6P MolecularWeight: 369.309561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCN)CC2=CC=C(O2)[N+](=O)[O-])CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CCN)CC2=CC=C(O2)[N+](=O)[O-])CP(=O)(O)O

InChI

InChI=1S/C15H20N3O6P/c16-7-8-17(10-14-5-6-15(24-14)18(19)20)9-12-1-3-13(4-2-12)11-25(21,22)23/h1-6H,7-11,16H2,(H2,21,22,23)