(3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate

Systemtic Name: (3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxidanylidene-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate Openeye Name: (3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxo-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate CAS Name: (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate Traditional Name: (1R,3R)-3-[(E)-3-keto-3-methoxy-2-methyl-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylic acid (3-nitrobenzyl) ester Formula: C18H21NO6 MolecularWeight: 347.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

C/C(=C\[C@@H]1[C@H](C1(C)C)C(=O)OCC2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C18H21NO6/c1-11(16(20)24-4)8-14-15(18(14,2)3)17(21)25-10-12-6-5-7-13(9-12)19(22)23/h5-9,14-15H,10H2,1-4H3/b11-8+/t14-,15+/m1/s1