2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzamide Openeye Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzamide CAS Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitrobenzamide IUPAC Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitrobenzamide Traditional Name: 2-(1,4-diazepan-4-ium-1-yl)-5-nitro-benzamide Formula: C12H17N4O3+ MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O3/c13-12(17)10-8-9(16(18)19)2-3-11(10)15-6-1-4-14-5-7-15/h2-3,8,14H,1,4-7H2,(H2,13,17)/p+1