methyl 4-nitro-2-prop-1-ynyl-benzoate

Systemtic Name: methyl 4-nitro-2-prop-1-ynyl-benzoate Openeye Name: methyl 4-nitro-2-prop-1-ynyl-benzoate CAS Name: 4-nitro-2-prop-1-ynylbenzoic acid methyl ester IUPAC Name: methyl 4-nitro-2-prop-1-ynylbenzoate Traditional Name: 4-nitro-2-prop-1-ynyl-benzoic acid methyl ester Formula: C11H9NO4 MolecularWeight: 219.19346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9NO4/c1-3-4-8-7-9(12(14)15)5-6-10(8)11(13)16-2/h5-7H,1-2H3