3-(2-methyl-5-nitro-phenoxy)-N-propan-2-yl-propan-1-amine

Systemtic Name: 3-(2-methyl-5-nitro-phenoxy)-N-propan-2-yl-propan-1-amine Openeye Name: N-isopropyl-3-(2-methyl-5-nitro-phenoxy)propan-1-amine CAS Name: 3-(2-methyl-5-nitrophenoxy)-N-propan-2-yl-1-propanamine IUPAC Name: 3-(2-methyl-5-nitrophenoxy)-N-propan-2-ylpropan-1-amine Traditional Name: isopropyl-[3-(2-methyl-5-nitro-phenoxy)propyl]amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCCNC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCCCNC(C)C

InChI

InChI=1S/C13H20N2O3/c1-10(2)14-7-4-8-18-13-9-12(15(16)17)6-5-11(13)3/h5-6,9-10,14H,4,7-8H2,1-3H3