4-(azepan-1-yl)-3-nitro-benzaldehyde

Systemtic Name: 4-(azepan-1-yl)-3-nitro-benzaldehyde Openeye Name: 4-(azepan-1-yl)-3-nitro-benzaldehyde CAS Name: 4-(1-azepanyl)-3-nitrobenzaldehyde IUPAC Name: 4-(azepan-1-yl)-3-nitrobenzaldehyde Traditional Name: 4-(azepan-1-yl)-3-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)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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