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

Systemtic Name: [7-chloranyl-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl ethanoate Openeye Name: [7-chloro-5-nitro-6-[(E)-2-nitrovinyl]-2,3-dihydrobenzofuran-2-yl]methyl acetate CAS Name: acetic acid [7-chloro-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydrobenzofuran-2-yl]methyl ester IUPAC Name: [7-chloro-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl acetate Traditional Name: acetic acid [7-chloro-5-nitro-6-[(E)-2-nitrovinyl]coumaran-2-yl]methyl ester Formula: C13H11ClN2O7 MolecularWeight: 342.68864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC2=CC(=C(C(=C2O1)Cl)C=C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1CC2=CC(=C(C(=C2O1)Cl)/C=C/[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN2O7/c1-7(17)22-6-9-4-8-5-11(16(20)21)10(2-3-15(18)19)12(14)13(8)23-9/h2-3,5,9H,4,6H2,1H3/b3-2+