2-(3-methyl-4-nitro-phenoxy)ethyl-propan-2-yl-azanium

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)ethyl-propan-2-yl-azanium Openeye Name: isopropyl-[2-(3-methyl-4-nitro-phenoxy)ethyl]ammonium CAS Name: 2-(3-methyl-4-nitrophenoxy)ethyl-propan-2-ylammonium IUPAC Name: 2-(3-methyl-4-nitrophenoxy)ethyl-propan-2-ylazanium Traditional Name: isopropyl-[2-(3-methyl-4-nitro-phenoxy)ethyl]ammonium Formula: C12H19N2O3+ MolecularWeight: 239.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC[NH2+]C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC[NH2+]C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-9(2)13-6-7-17-11-4-5-12(14(15)16)10(3)8-11/h4-5,8-9,13H,6-7H2,1-3H3/p+1