(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 4-chloranyl-2-nitro-benzoate

Systemtic Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 4-chloranyl-2-nitro-benzoate Openeye Name: (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid (5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)methyl ester IUPAC Name: (5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid (5-ethoxy-2-methyl-coumaran-6-yl)methyl ester Formula: C19H18ClNO6 MolecularWeight: 391.80232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClNO6/c1-3-25-17-7-12-6-11(2)27-18(12)8-13(17)10-26-19(22)15-5-4-14(20)9-16(15)21(23)24/h4-5,7-9,11H,3,6,10H2,1-2H3