6-(nitromethyl)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid

Systemtic Name: 6-(nitromethyl)-4-oxidanylidene-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid Openeye Name: 6-(nitromethyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid CAS Name: 6-(nitromethyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid IUPAC Name: 6-(nitromethyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid Traditional Name: 4-keto-6-(nitromethyl)-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylic acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)CC1C[N+](=O)[O-])C(=CN2)C(=O)O

Isomeric SMILES

C1CC2=C(C(=O)CC1C[N+](=O)[O-])C(=CN2)C(=O)O

InChI

InChI=1S/C11H12N2O5/c14-9-3-6(5-13(17)18)1-2-8-10(9)7(4-12-8)11(15)16/h4,6,12H,1-3,5H2,(H,15,16)