(4-methanoyl-2-methoxy-6-prop-2-enyl-phenyl) 3-nitrobenzoate

Systemtic Name: (4-methanoyl-2-methoxy-6-prop-2-enyl-phenyl) 3-nitrobenzoate Openeye Name: (2-allyl-4-formyl-6-methoxy-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4-formyl-2-methoxy-6-prop-2-enylphenyl) ester IUPAC Name: (4-formyl-2-methoxy-6-prop-2-enylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-allyl-4-formyl-6-methoxy-phenyl) ester Formula: C18H15NO6 MolecularWeight: 341.3148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC=C)C=O

Isomeric SMILES

COC1=CC(=CC(=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC=C)C=O

InChI

InChI=1S/C18H15NO6/c1-3-5-13-8-12(11-20)9-16(24-2)17(13)25-18(21)14-6-4-7-15(10-14)19(22)23/h3-4,6-11H,1,5H2,2H3