2-hydroxyethyl-[4-(2-methylbutylamino)-2-nitro-phenyl]-bis(oxidanyl)azanium

Systemtic Name: 2-hydroxyethyl-[4-(2-methylbutylamino)-2-nitro-phenyl]-bis(oxidanyl)azanium Openeye Name: dihydroxy-(2-hydroxyethyl)-[4-(2-methylbutylamino)-2-nitro-phenyl]ammonium CAS Name: dihydroxy-(2-hydroxyethyl)-[4-(2-methylbutylamino)-2-nitrophenyl]ammonium IUPAC Name: dihydroxy-(2-hydroxyethyl)-[4-(2-methylbutylamino)-2-nitrophenyl]azanium Traditional Name: dihydroxy-(2-hydroxyethyl)-[4-(2-methylbutylamino)-2-nitro-phenyl]ammonium Formula: C13H22N3O5+ MolecularWeight: 300.33088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=CC(=C(C=C1)[N+](CCO)(O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(C)CNC1=CC(=C(C=C1)[N+](CCO)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H22N3O5/c1-3-10(2)9-14-11-4-5-13(12(8-11)15(18)19)16(20,21)6-7-17/h4-5,8,10,14,17,20-21H,3,6-7,9H2,1-2H3/q+1