2-(4-aminophenyl)ethyl-[3-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-propyl]carbamic acid

Systemtic Name: 2-(4-aminophenyl)ethyl-[3-(2-azanyl-3-nitro-phenoxy)-2-oxidanyl-propyl]carbamic acid Openeye Name: [3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]-[2-(4-aminophenyl)ethyl]carbamic acid CAS Name: [3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]-[2-(4-aminophenyl)ethyl]carbamic acid IUPAC Name: [3-(2-amino-3-nitrophenoxy)-2-hydroxypropyl]-[2-(4-aminophenyl)ethyl]carbamic acid Traditional Name: [3-(2-amino-3-nitro-phenoxy)-2-hydroxy-propyl]-[2-(4-aminophenyl)ethyl]carbamic acid Formula: C18H22N4O6 MolecularWeight: 390.39048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCC(CN(CCC2=CC=C(C=C2)N)C(=O)O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)OCC(CN(CCC2=CC=C(C=C2)N)C(=O)O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O6/c19-13-6-4-12(5-7-13)8-9-21(18(24)25)10-14(23)11-28-16-3-1-2-15(17(16)20)22(26)27/h1-7,14,23H,8-11,19-20H2,(H,24,25)