methyl 3-[(E)-2-nitroprop-1-enyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 3-[(E)-2-nitroprop-1-enyl]-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-3-[(E)-2-nitroprop-1-enyl]benzoate CAS Name: 2-hydroxy-3-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-[(E)-2-nitroprop-1-enyl]benzoate Traditional Name: 2-hydroxy-3-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\C1=C(C(=CC=C1)C(=O)OC)O)/[N+](=O)[O-]

InChI

InChI=1S/C11H11NO5/c1-7(12(15)16)6-8-4-3-5-9(10(8)13)11(14)17-2/h3-6,13H,1-2H3/b7-6+