ethyl 3-azanylidene-3-methoxy-propanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: ethyl 3-azanylidene-3-methoxy-propanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: ethyl 3-imino-3-methoxy-propanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 3-imino-3-methoxypropanoic acid ethyl ester; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: ethyl 3-imino-3-methoxypropanoate; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 3-imino-3-methoxy-propionic acid ethyl ester; 4-nitro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=N)OC.C1=CC(=C2C=C1N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC(=N)OC.C1=CC(=C2C=C1N2)[N+](=O)[O-]

InChI

InChI=1S/C6H4N2O2.C6H11NO3/c9-8(10)6-2-1-4-3-5(6)7-4;1-3-10-6(8)4-5(7)9-2/h1-3,7H;7H,3-4H2,1-2H3