[4-[[3-azanylpropyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid

Systemtic Name: [4-[[3-azanylpropyl-(4-nitrophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[3-aminopropyl-(4-nitrobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[3-aminopropyl-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[3-aminopropyl-(4-nitrobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[3-aminopropyl-(4-nitrobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C18H22N3O6P MolecularWeight: 407.357541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N3O6P/c19-10-1-11-20(18(22)16-6-8-17(9-7-16)21(23)24)12-14-2-4-15(5-3-14)13-28(25,26)27/h2-9H,1,10-13,19H2,(H2,25,26,27)