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

Systemtic Name: methyl 5-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonyloxymethyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-(cyclopropylamino)-3-nitro-benzoyl]oxymethyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethoxy]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(cyclopropylamino)-3-nitrobenzoyl]oxymethyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-(cyclopropylamino)-3-nitro-benzoyl]oxymethyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H18N2O7/c1-10-7-13(27-16(10)18(22)25-2)9-26-17(21)11-3-6-14(19-12-4-5-12)15(8-11)20(23)24/h3,6-8,12,19H,4-5,9H2,1-2H3