methyl 7-chloranyl-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: methyl 7-chloranyl-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: methyl 7-chloro-5-nitro-6-[(E)-2-nitrovinyl]-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 7-chloro-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-5-nitro-6-[(E)-2-nitrovinyl]coumaran-2-carboxylic acid methyl ester Formula: C12H9ClN2O7 MolecularWeight: 328.66206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC(=C(C(=C2O1)Cl)C=C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CC2=CC(=C(C(=C2O1)Cl)/C=C/[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN2O7/c1-21-12(16)9-5-6-4-8(15(19)20)7(2-3-14(17)18)10(13)11(6)22-9/h2-4,9H,5H2,1H3/b3-2+