6-[(3-nitrophenyl)carbamoylamino]hexanoic acid

Systemtic Name: 6-[(3-nitrophenyl)carbamoylamino]hexanoic acid Openeye Name: 6-[(3-nitrophenyl)carbamoylamino]hexanoic acid CAS Name: 6-[[(3-nitroanilino)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3-nitrophenyl)carbamoylamino]hexanoic acid Traditional Name: 6-[(3-nitrophenyl)carbamoylamino]hexanoic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O5/c17-12(18)7-2-1-3-8-14-13(19)15-10-5-4-6-11(9-10)16(20)21/h4-6,9H,1-3,7-8H2,(H,17,18)(H2,14,15,19)