(1S,3R)-1,2,2-trimethyl-3-[[(2-nitrophenyl)carbonylamino]carbamoyl]cyclopentane-1-carboxylate

Systemtic Name: (1S,3R)-1,2,2-trimethyl-3-[[(2-nitrophenyl)carbonylamino]carbamoyl]cyclopentane-1-carboxylate Openeye Name: (1S,3R)-1,2,2-trimethyl-3-[[(2-nitrobenzoyl)amino]carbamoyl]cyclopentanecarboxylate CAS Name: (1S,3R)-1,2,2-trimethyl-3-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclopentanecarboxylate IUPAC Name: (1S,3R)-1,2,2-trimethyl-3-[[(2-nitrobenzoyl)amino]carbamoyl]cyclopentane-1-carboxylate Traditional Name: (1S,3R)-1,2,2-trimethyl-3-[[(2-nitrobenzoyl)amino]carbamoyl]cyclopentanecarboxylate Formula: C17H20N3O6- MolecularWeight: 362.3572

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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

C[C@@]1(CC[C@H](C1(C)C)C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H21N3O6/c1-16(2)11(8-9-17(16,3)15(23)24)14(22)19-18-13(21)10-6-4-5-7-12(10)20(25)26/h4-7,11H,8-9H2,1-3H3,(H,18,21)(H,19,22)(H,23,24)/p-1/t11-,17+/m0/s1