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

Systemtic Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzaldehyde Openeye Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzaldehyde CAS Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzaldehyde IUPAC Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitrobenzaldehyde Traditional Name: 2-(4-methyl-1,4-diazepan-1-yl)-5-nitro-benzaldehyde Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

Isomeric SMILES

CN1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O

InChI

InChI=1S/C13H17N3O3/c1-14-5-2-6-15(8-7-14)13-4-3-12(16(18)19)9-11(13)10-17/h3-4,9-10H,2,5-8H2,1H3