2-(7-azaniumylheptylcarbamoyl)-4-nitro-benzoate

Systemtic Name: 2-(7-azaniumylheptylcarbamoyl)-4-nitro-benzoate Openeye Name: 2-(7-azaniumylheptylcarbamoyl)-4-nitro-benzoate CAS Name: 2-[(7-ammonioheptylamino)-oxomethyl]-4-nitrobenzoate IUPAC Name: 2-(7-azaniumylheptylcarbamoyl)-4-nitrobenzoate Traditional Name: 2-(7-ammonioheptylcarbamoyl)-4-nitro-benzoate Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCCCCC[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)NCCCCCCC[NH3+])C(=O)[O-]

InChI

InChI=1S/C15H21N3O5/c16-8-4-2-1-3-5-9-17-14(19)13-10-11(18(22)23)6-7-12(13)15(20)21/h6-7,10H,1-5,8-9,16H2,(H,17,19)(H,20,21)