(2-azido-1-cyano-1-methoxy-2-methyl-3-phenylmethoxy-propyl) nitrate

Systemtic Name: (2-azido-1-cyano-1-methoxy-2-methyl-3-phenylmethoxy-propyl) nitrate Openeye Name: (2-azido-3-benzyloxy-1-cyano-1-methoxy-2-methyl-propyl) nitrate CAS Name: nitric acid (2-azido-1-cyano-1-methoxy-2-methyl-3-phenylmethoxypropyl) ester IUPAC Name: (2-azido-1-cyano-1-methoxy-2-methyl-3-phenylmethoxypropyl) nitrate Traditional Name: nitric acid (2-azido-3-benzoxy-1-cyano-1-methoxy-2-methyl-propyl) ester Formula: C13H15N5O5 MolecularWeight: 321.2887

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)(C(C#N)(OC)O[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CC(COCC1=CC=CC=C1)(C(C#N)(OC)O[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C13H15N5O5/c1-12(16-17-15,13(9-14,21-2)23-18(19)20)10-22-8-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3