ethyl (E,4S,5R)-6,6-dimethoxy-5-(nitromethyl)-4-propan-2-yl-hex-2-enoate

Systemtic Name: ethyl (E,4S,5R)-6,6-dimethoxy-5-(nitromethyl)-4-propan-2-yl-hex-2-enoate Openeye Name: ethyl (E,4S,5R)-4-isopropyl-6,6-dimethoxy-5-(nitromethyl)hex-2-enoate CAS Name: (E,4S,5R)-6,6-dimethoxy-5-(nitromethyl)-4-propan-2-yl-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4S,5R)-6,6-dimethoxy-5-(nitromethyl)-4-propan-2-ylhex-2-enoate Traditional Name: (E,4S,5R)-4-isopropyl-6,6-dimethoxy-5-(nitromethyl)hex-2-enoic acid ethyl ester Formula: C14H25NO6 MolecularWeight: 303.3514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(C)C)C(C[N+](=O)[O-])C(OC)OC

Isomeric SMILES

CCOC(=O)/C=C/[C@@H]([C@H](C[N+](=O)[O-])C(OC)OC)C(C)C

InChI

InChI=1S/C14H25NO6/c1-6-21-13(16)8-7-11(10(2)3)12(9-15(17)18)14(19-4)20-5/h7-8,10-12,14H,6,9H2,1-5H3/b8-7+/t11-,12+/m1/s1