[1-[(4-iodanyl-2-methyl-phenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate

Systemtic Name: [1-[(4-iodanyl-2-methyl-phenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate Openeye Name: [1-[(4-iodo-2-methyl-phenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate CAS Name: propanoic acid [1-[(4-iodo-2-methylphenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester IUPAC Name: [1-[(4-iodo-2-methylphenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-yl] propanoate Traditional Name: propionic acid [1-[(4-iodo-2-methyl-phenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-yl] ester Formula: C23H21IN2O5 MolecularWeight: 532.32771

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C2=C(C=C1[N+](=O)[O-])OC3=C2CCCC3)C=NC4=C(C=C(C=C4)I)C

Isomeric SMILES

CCC(=O)OC1=C(C2=C(C=C1[N+](=O)[O-])OC3=C2CCCC3)C=NC4=C(C=C(C=C4)I)C

InChI

InChI=1S/C23H21IN2O5/c1-3-21(27)31-23-16(12-25-17-9-8-14(24)10-13(17)2)22-15-6-4-5-7-19(15)30-20(22)11-18(23)26(28)29/h8-12H,3-7H2,1-2H3