N-[(2-methoxy-5-nitro-phenyl)methyl]pentan-3-amine

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)methyl]pentan-3-amine Openeye Name: N-[(2-methoxy-5-nitro-phenyl)methyl]pentan-3-amine CAS Name: N-[(2-methoxy-5-nitrophenyl)methyl]-3-pentanamine IUPAC Name: N-[(2-methoxy-5-nitrophenyl)methyl]pentan-3-amine Traditional Name: 1-ethylpropyl-(2-methoxy-5-nitro-benzyl)amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC1=C(C=CC(=C1)[N+](=O)[O-])OC

Isomeric SMILES

CCC(CC)NCC1=C(C=CC(=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H20N2O3/c1-4-11(5-2)14-9-10-8-12(15(16)17)6-7-13(10)18-3/h6-8,11,14H,4-5,9H2,1-3H3