N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl]-N-cyclohexyl-5-nitro-furan-2-carboxamide

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl]-N-cyclohexyl-5-nitro-furan-2-carboxamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl]-N-cyclohexyl-5-nitro-furan-2-carboxamide CAS Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-5-nitro-2-furancarboxamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-5-nitrofuran-2-carboxamide Traditional Name: N-[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-N-cyclohexyl-5-nitro-2-furamide Formula: C21H25N3O7 MolecularWeight: 431.4391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=O)C3=CC=C(O3)[N+](=O)[O-])OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=O)C3=CC=C(O3)[N+](=O)[O-])OCC(=O)N

InChI

InChI=1S/C21H25N3O7/c1-29-18-11-14(7-8-16(18)30-13-19(22)25)12-23(15-5-3-2-4-6-15)21(26)17-9-10-20(31-17)24(27)28/h7-11,15H,2-6,12-13H2,1H3,(H2,22,25)