3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid

Systemtic Name: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid Openeye Name: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid CAS Name: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid IUPAC Name: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid Traditional Name: 3-(2-carboxyethyl)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-ene-7-carboxylic acid Formula: C12H15N3O8 MolecularWeight: 329.2628

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2(CC1(CN(C2)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1C(=CC2(CC1(CN(C2)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15N3O8/c16-9(17)1-2-13-6-11(14(20)21)3-8(10(18)19)4-12(5-11,7-13)15(22)23/h3H,1-2,4-7H2,(H,16,17)(H,18,19)