3-nitro-4-(2-oxidanylideneazepan-3-yl)oxy-benzaldehyde

Systemtic Name: 3-nitro-4-(2-oxidanylideneazepan-3-yl)oxy-benzaldehyde Openeye Name: 3-nitro-4-(2-oxoazepan-3-yl)oxy-benzaldehyde CAS Name: 3-nitro-4-[(2-oxo-3-azepanyl)oxy]benzaldehyde IUPAC Name: 3-nitro-4-(2-oxoazepan-3-yl)oxybenzaldehyde Traditional Name: 4-(2-ketoazepan-3-yl)oxy-3-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)C=O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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