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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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