8-[(2-nitrophenyl)carbamoylamino]octanoic acid

Systemtic Name: 8-[(2-nitrophenyl)carbamoylamino]octanoic acid Openeye Name: 8-[(2-nitrophenyl)carbamoylamino]octanoic acid CAS Name: 8-[[(2-nitroanilino)-oxomethyl]amino]octanoic acid IUPAC Name: 8-[(2-nitrophenyl)carbamoylamino]octanoic acid Traditional Name: 8-[(2-nitrophenyl)carbamoylamino]caprylic acid Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NCCCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NCCCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O5/c19-14(20)10-4-2-1-3-7-11-16-15(21)17-12-8-5-6-9-13(12)18(22)23/h5-6,8-9H,1-4,7,10-11H2,(H,19,20)(H2,16,17,21)