(4-methoxy-2-prop-2-enyl-phenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-methoxy-2-prop-2-enyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-allyl-4-methoxy-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-methoxy-2-prop-2-enylphenyl) ester IUPAC Name: (4-methoxy-2-prop-2-enylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-allyl-4-methoxy-phenyl) ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)OC)CC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)OC)CC=C)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5/c1-4-5-13-11-15(23-3)7-9-17(13)24-18(20)14-6-8-16(19(21)22)12(2)10-14/h4,6-11H,1,5H2,2-3H3