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

Systemtic Name: 3-nitro-4-(3-oxidanylidenepiperazin-1-yl)benzaldehyde Openeye Name: 3-nitro-4-(3-oxopiperazin-1-yl)benzaldehyde CAS Name: 3-nitro-4-(3-oxo-1-piperazinyl)benzaldehyde IUPAC Name: 3-nitro-4-(3-oxopiperazin-1-yl)benzaldehyde Traditional Name: 4-(3-ketopiperazino)-3-nitro-benzaldehyde Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)C=O)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4/c15-7-8-1-2-9(10(5-8)14(17)18)13-4-3-12-11(16)6-13/h1-2,5,7H,3-4,6H2,(H,12,16)