methyl 5-[[4-(dimethylamino)-3-nitro-phenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(dimethylamino)-3-nitro-phenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(dimethylamino)-3-nitro-benzoyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-(dimethylamino)-3-nitrophenyl]-oxomethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(dimethylamino)-3-nitrobenzoyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(dimethylamino)-3-nitro-benzoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C17H18N2O7 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H18N2O7/c1-10-13(17(21)24-4)8-12(26-10)9-25-16(20)11-5-6-14(18(2)3)15(7-11)19(22)23/h5-8H,9H2,1-4H3