1,2,2-trimethyl-3-[[(3-nitrophenyl)carbonylamino]carbamoyl]cyclopentane-1-carboxylic acid

Systemtic Name: 1,2,2-trimethyl-3-[[(3-nitrophenyl)carbonylamino]carbamoyl]cyclopentane-1-carboxylic acid Openeye Name: 1,2,2-trimethyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]cyclopentanecarboxylic acid CAS Name: 1,2,2-trimethyl-3-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 1,2,2-trimethyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]cyclopentane-1-carboxylic acid Traditional Name: 1,2,2-trimethyl-3-[[(3-nitrobenzoyl)amino]carbamoyl]cyclopentanecarboxylic acid Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O6/c1-16(2)12(7-8-17(16,3)15(23)24)14(22)19-18-13(21)10-5-4-6-11(9-10)20(25)26/h4-6,9,12H,7-8H2,1-3H3,(H,18,21)(H,19,22)(H,23,24)