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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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