prop-2-enyl 5-chloranyl-3-nitro-2-prop-2-enoxy-benzoate

Systemtic Name: prop-2-enyl 5-chloranyl-3-nitro-2-prop-2-enoxy-benzoate Openeye Name: allyl 2-allyloxy-5-chloro-3-nitro-benzoate CAS Name: 5-chloro-3-nitro-2-prop-2-enoxybenzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 5-chloro-3-nitro-2-prop-2-enoxybenzoate Traditional Name: 2-allyloxy-5-chloro-3-nitro-benzoic acid allyl ester Formula: C13H12ClNO5 MolecularWeight: 297.69108

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1C(=O)OCC=C)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCOC1=C(C=C(C=C1C(=O)OCC=C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClNO5/c1-3-5-19-12-10(13(16)20-6-4-2)7-9(14)8-11(12)15(17)18/h3-4,7-8H,1-2,5-6H2