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

Systemtic Name: methyl 7-chloranyl-6-[(E)-2-(dimethylamino)ethenyl]-5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: methyl 7-chloro-6-[(E)-2-(dimethylamino)vinyl]-5-nitro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: 7-chloro-6-[(E)-2-(dimethylamino)ethenyl]-5-nitro-2,3-dihydrobenzofuran-2-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-6-[(E)-2-(dimethylamino)ethenyl]-5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-6-[(E)-2-(dimethylamino)vinyl]-5-nitro-coumaran-2-carboxylic acid methyl ester Formula: C14H15ClN2O5 MolecularWeight: 326.7323

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=CC1=C(C=C2CC(OC2=C1Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)/C=C/C1=C(C=C2CC(OC2=C1Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H15ClN2O5/c1-16(2)5-4-9-10(17(19)20)6-8-7-11(14(18)21-3)22-13(8)12(9)15/h4-6,11H,7H2,1-3H3/b5-4+