2-(azepan-1-yl)-5-nitro-benzaldehyde

Systemtic Name: 2-(azepan-1-yl)-5-nitro-benzaldehyde Openeye Name: 2-(azepan-1-yl)-5-nitro-benzaldehyde CAS Name: 2-(1-azepanyl)-5-nitrobenzaldehyde IUPAC Name: 2-(azepan-1-yl)-5-nitrobenzaldehyde Traditional Name: 2-(azepan-1-yl)-5-nitro-benzaldehyde Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3/c16-10-11-9-12(15(17)18)5-6-13(11)14-7-3-1-2-4-8-14/h5-6,9-10H,1-4,7-8H2