2-[(3-nitrophenyl)carbamoylamino]hexanoic acid

Systemtic Name: 2-[(3-nitrophenyl)carbamoylamino]hexanoic acid Openeye Name: 2-[(3-nitrophenyl)carbamoylamino]hexanoic acid CAS Name: 2-[[(3-nitroanilino)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(3-nitrophenyl)carbamoylamino]hexanoic acid Traditional Name: 2-[(3-nitrophenyl)carbamoylamino]hexanoic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-2-3-7-11(12(17)18)15-13(19)14-9-5-4-6-10(8-9)16(20)21/h4-6,8,11H,2-3,7H2,1H3,(H,17,18)(H2,14,15,19)