4-butyl-2-nitro-1-phenylmethoxy-benzene; propan-2-amine

Systemtic Name: 4-butyl-2-nitro-1-phenylmethoxy-benzene; propan-2-amine Openeye Name: 1-benzyloxy-4-butyl-2-nitro-benzene; propan-2-amine CAS Name: 4-butyl-2-nitro-1-phenylmethoxybenzene; 2-propanamine IUPAC Name: 4-butyl-2-nitro-1-phenylmethoxybenzene; propan-2-amine Traditional Name: 1-benzoxy-4-butyl-2-nitro-benzene; isopropylamine Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].CC(C)N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].CC(C)N

InChI

InChI=1S/C17H19NO3.C3H9N/c1-2-3-7-14-10-11-17(16(12-14)18(19)20)21-13-15-8-5-4-6-9-15;1-3(2)4/h4-6,8-12H,2-3,7,13H2,1H3;3H,4H2,1-2H3