(1R,6S)-6-[(pyridin-4-ylcarbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(pyridin-4-ylcarbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(pyridine-4-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[oxo-[[oxo(pyridin-4-yl)methyl]hydrazo]methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(pyridine-4-carbonylamino)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(isonicotinamidocarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C14H14N3O4- MolecularWeight: 288.27866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O4/c18-12(9-5-7-15-8-6-9)16-17-13(19)10-3-1-2-4-11(10)14(20)21/h1-2,5-8,10-11H,3-4H2,(H,16,18)(H,17,19)(H,20,21)/p-1/t10-,11+/m0/s1