2-[(2-methoxy-5-nitro-phenyl)methylamino]butan-1-ol

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylamino]butan-1-ol Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylamino]butan-1-ol CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylamino]-1-butanol IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylamino]butan-1-ol Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)amino]butan-1-ol Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4/c1-3-10(8-15)13-7-9-6-11(14(16)17)4-5-12(9)18-2/h4-6,10,13,15H,3,7-8H2,1-2H3