2-(azepan-1-ylmethyl)-4-nitro-phenol

Systemtic Name: 2-(azepan-1-ylmethyl)-4-nitro-phenol Openeye Name: 2-(azepan-1-ylmethyl)-4-nitro-phenol CAS Name: 2-(1-azepanylmethyl)-4-nitrophenol IUPAC Name: 2-(azepan-1-ylmethyl)-4-nitrophenol Traditional Name: 2-(azepan-1-ylmethyl)-4-nitro-phenol Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H18N2O3/c16-13-6-5-12(15(17)18)9-11(13)10-14-7-3-1-2-4-8-14/h5-6,9,16H,1-4,7-8,10H2