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

Systemtic Name: [4-[[(4-azanylcyclohexyl)-(4-nitrophenyl)carbonyl-amino]methyl]phenyl]methylphosphonic acid Openeye Name: [4-[[(4-aminocyclohexyl)-(4-nitrobenzoyl)amino]methyl]phenyl]methylphosphonic acid CAS Name: [4-[[(4-aminocyclohexyl)-[(4-nitrophenyl)-oxomethyl]amino]methyl]phenyl]methylphosphonic acid IUPAC Name: [4-[[(4-aminocyclohexyl)-(4-nitrobenzoyl)amino]methyl]phenyl]methylphosphonic acid Traditional Name: [4-[[(4-aminocyclohexyl)-(4-nitrobenzoyl)amino]methyl]benzyl]phosphonic acid Formula: C21H26N3O6P MolecularWeight: 447.421401

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)N(CC2=CC=C(C=C2)CP(=O)(O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N3O6P/c22-18-7-11-19(12-8-18)23(21(25)17-5-9-20(10-6-17)24(26)27)13-15-1-3-16(4-2-15)14-31(28,29)30/h1-6,9-10,18-19H,7-8,11-14,22H2,(H2,28,29,30)