[4-[[2-azanylethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[2-azanylethyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[2-aminoethyl-(4-nitrobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[2-aminoethyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[2-aminoethyl-(4-nitrobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[2-aminoethyl-(4-nitrobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C17H20N3O6P MolecularWeight: 393.330961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN(CCN)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CN(CCN)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CP(=O)(O)O

InChI

InChI=1S/C17H20N3O6P/c18-9-10-19(17(21)15-5-7-16(8-6-15)20(22)23)11-13-1-3-14(4-2-13)12-27(24,25)26/h1-8H,9-12,18H2,(H2,24,25,26)