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

Systemtic Name: 7-chloranyl-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 7-chloro-5-nitro-6-[(E)-2-nitrovinyl]-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 7-chloro-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 7-chloro-5-nitro-6-[(E)-2-nitroethenyl]-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 7-chloro-5-nitro-6-[(E)-2-nitrovinyl]coumaran-2-carboxylic acid Formula: C11H7ClN2O7 MolecularWeight: 314.63548

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(C(=C(C=C21)[N+](=O)[O-])C=C[N+](=O)[O-])Cl)C(=O)O

Isomeric SMILES

C1C(OC2=C(C(=C(C=C21)[N+](=O)[O-])/C=C/[N+](=O)[O-])Cl)C(=O)O

InChI

InChI=1S/C11H7ClN2O7/c12-9-6(1-2-13(17)18)7(14(19)20)3-5-4-8(11(15)16)21-10(5)9/h1-3,8H,4H2,(H,15,16)/b2-1+