(1S,6R)-6-[[(3-nitrophenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[[(3-nitrophenyl)carbonylamino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[(3-nitrobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[(3-nitrobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[(3-nitrobenzoyl)amino]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H15N3O6 MolecularWeight: 333.2961

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H15N3O6/c19-13(9-4-3-5-10(8-9)18(23)24)16-17-14(20)11-6-1-2-7-12(11)15(21)22/h1-5,8,11-12H,6-7H2,(H,16,19)(H,17,20)(H,21,22)/t11-,12+/m1/s1