2-(1,4-diazepan-1-yl)-5-nitro-benzaldehyde

Systemtic Name: 2-(1,4-diazepan-1-yl)-5-nitro-benzaldehyde Openeye Name: 2-(1,4-diazepan-1-yl)-5-nitro-benzaldehyde CAS Name: 2-(1,4-diazepan-1-yl)-5-nitrobenzaldehyde IUPAC Name: 2-(1,4-diazepan-1-yl)-5-nitrobenzaldehyde Traditional Name: 2-(1,4-diazepan-1-yl)-5-nitro-benzaldehyde Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

C1CNCCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C12H15N3O3/c16-9-10-8-11(15(17)18)2-3-12(10)14-6-1-4-13-5-7-14/h2-3,8-9,13H,1,4-7H2