7-azabicyclo[2.2.1]hepta-1,3,5-triene; 2-nitroethyl 3-azanylidenepropanoate

Systemtic Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 2-nitroethyl 3-azanylidenepropanoate Openeye Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 2-nitroethyl 3-iminopropanoate CAS Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 3-iminopropanoic acid 2-nitroethyl ester IUPAC Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 2-nitroethyl 3-iminopropanoate Traditional Name: 7-azabicyclo[2.2.1]hepta-1,3,5-triene; 3-iminopropionic acid 2-nitroethyl ester Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC=C1N2.C(COC(=O)CC=N)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=CC=C1N2.C(COC(=O)CC=N)[N+](=O)[O-]

InChI

InChI=1S/C6H5N.C5H8N2O4/c1-2-6-4-3-5(1)7-6;6-2-1-5(8)11-4-3-7(9)10/h1-4,7H;2,6H,1,3-4H2