3-[(4-nitrophenyl)carbamothioylamino]bicyclo[2.2.1]heptane-2-carboxylic acid

Systemtic Name: 3-[(4-nitrophenyl)carbamothioylamino]bicyclo[2.2.1]heptane-2-carboxylic acid Openeye Name: 3-[(4-nitrophenyl)carbamothioylamino]norbornane-2-carboxylic acid CAS Name: 3-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-2-bicyclo[2.2.1]heptanecarboxylic acid IUPAC Name: 3-[(4-nitrophenyl)carbamothioylamino]bicyclo[2.2.1]heptane-2-carboxylic acid Traditional Name: 3-[(4-nitrophenyl)thiocarbamoylamino]norbornane-2-carboxylic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(C2NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC2CC1C(C2NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H17N3O4S/c19-14(20)12-8-1-2-9(7-8)13(12)17-15(23)16-10-3-5-11(6-4-10)18(21)22/h3-6,8-9,12-13H,1-2,7H2,(H,19,20)(H2,16,17,23)