3-nitro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid

Systemtic Name: 3-nitro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid Openeye Name: 3-nitro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid CAS Name: 3-nitro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid IUPAC Name: 3-nitro-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid Traditional Name: 3-nitro-5,6,7,8-tetrahydro-4H-pyrazol[1,5-a]azepine-2-carboxylic acid Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=NN2CC1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C(=NN2CC1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H11N3O4/c13-9(14)7-8(12(15)16)6-4-2-1-3-5-11(6)10-7/h1-5H2,(H,13,14)