phenyl (Z)-6-azido-6-(3,3-dimethyloxiran-2-yl)-4-methyl-3-nitro-hex-3-enoate

Systemtic Name: phenyl (Z)-6-azido-6-(3,3-dimethyloxiran-2-yl)-4-methyl-3-nitro-hex-3-enoate Openeye Name: phenyl (Z)-6-azido-6-(3,3-dimethyloxiran-2-yl)-4-methyl-3-nitro-hex-3-enoate CAS Name: (Z)-6-azido-6-(3,3-dimethyl-2-oxiranyl)-4-methyl-3-nitro-3-hexenoic acid phenyl ester IUPAC Name: phenyl (Z)-6-azido-6-(3,3-dimethyloxiran-2-yl)-4-methyl-3-nitrohex-3-enoate Traditional Name: (Z)-6-azido-6-(3,3-dimethyloxiran-2-yl)-4-methyl-3-nitro-hex-3-enoic acid phenyl ester Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(CC(=O)OC1=CC=CC=C1)[N+](=O)[O-])CC(C2C(O2)(C)C)N=[N+]=[N-]

Isomeric SMILES

C/C(=C(\CC(=O)OC1=CC=CC=C1)/[N+](=O)[O-])/CC(C2C(O2)(C)C)N=[N+]=[N-]

InChI

InChI=1S/C17H20N4O5/c1-11(9-13(19-20-18)16-17(2,3)26-16)14(21(23)24)10-15(22)25-12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3/b14-11-