ethyl 3-azanylidene-3-chloranyl-propanoate; 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene

Systemtic Name: ethyl 3-azanylidene-3-chloranyl-propanoate; 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene Openeye Name: ethyl 3-chloro-3-imino-propanoate; 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene CAS Name: 3-chloro-3-iminopropanoic acid ethyl ester; 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene IUPAC Name: ethyl 3-chloro-3-iminopropanoate; 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene Traditional Name: 3-chloro-3-imino-propionic acid ethyl ester; 3-nitro-7-azabicyclo[2.2.1]hepta-1,3,5-triene Formula: C11H12ClN3O4 MolecularWeight: 285.68368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H4N2O2.C5H8ClNO2/c9-8(10)6-3-4-1-2-5(6)7-4;1-2-9-5(8)3-4(6)7/h1-3,7H;7H,2-3H2,1H3