1,4-diazepan-4-ium-1-yl-(5-nitrofuran-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(5-nitrofuran-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(5-nitro-2-furyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(5-nitro-2-furanyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(5-nitrofuran-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(5-nitro-2-furyl)methanone Formula: C10H14N3O4+ MolecularWeight: 240.23586

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O4/c14-10(12-6-1-4-11-5-7-12)8-2-3-9(17-8)13(15)16/h2-3,11H,1,4-7H2/p+1