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

Systemtic Name: butan-1-amine; 4-butyl-2-nitro-1-phenylmethoxy-benzene Openeye Name: 1-benzyloxy-4-butyl-2-nitro-benzene; butan-1-amine CAS Name: 1-butanamine; 4-butyl-2-nitro-1-phenylmethoxybenzene IUPAC Name: butan-1-amine; 4-butyl-2-nitro-1-phenylmethoxybenzene Traditional Name: 1-benzoxy-4-butyl-2-nitro-benzene; butylamine Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO3.C4H11N/c1-2-3-7-14-10-11-17(16(12-14)18(19)20)21-13-15-8-5-4-6-9-15;1-2-3-4-5/h4-6,8-12H,2-3,7,13H2,1H3;2-5H2,1H3