5-nitro-2-(2-oxidanylideneazepan-3-yl)oxy-benzaldehyde

Systemtic Name: 5-nitro-2-(2-oxidanylideneazepan-3-yl)oxy-benzaldehyde Openeye Name: 5-nitro-2-(2-oxoazepan-3-yl)oxy-benzaldehyde CAS Name: 5-nitro-2-[(2-oxo-3-azepanyl)oxy]benzaldehyde IUPAC Name: 5-nitro-2-(2-oxoazepan-3-yl)oxybenzaldehyde Traditional Name: 2-(2-ketoazepan-3-yl)oxy-5-nitro-benzaldehyde Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1CCNC(=O)C(C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C13H14N2O5/c16-8-9-7-10(15(18)19)4-5-11(9)20-12-3-1-2-6-14-13(12)17/h4-5,7-8,12H,1-3,6H2,(H,14,17)