3-(4-methoxy-2-nitro-phenoxy)propyl-propan-2-yl-azanium

Systemtic Name: 3-(4-methoxy-2-nitro-phenoxy)propyl-propan-2-yl-azanium Openeye Name: isopropyl-[3-(4-methoxy-2-nitro-phenoxy)propyl]ammonium CAS Name: 3-(4-methoxy-2-nitrophenoxy)propyl-propan-2-ylammonium IUPAC Name: 3-(4-methoxy-2-nitrophenoxy)propyl-propan-2-ylazanium Traditional Name: isopropyl-[3-(4-methoxy-2-nitro-phenoxy)propyl]ammonium Formula: C13H21N2O4+ MolecularWeight: 269.31684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCCOC1=C(C=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)[NH2+]CCCOC1=C(C=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O4/c1-10(2)14-7-4-8-19-13-6-5-11(18-3)9-12(13)15(16)17/h5-6,9-10,14H,4,7-8H2,1-3H3/p+1