methyl 4-(furan-2-ylmethylamino)-3,5-dinitro-benzoate

Systemtic Name: methyl 4-(furan-2-ylmethylamino)-3,5-dinitro-benzoate Openeye Name: methyl 4-(2-furylmethylamino)-3,5-dinitro-benzoate CAS Name: 4-(2-furanylmethylamino)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-(furan-2-ylmethylamino)-3,5-dinitrobenzoate Traditional Name: 4-(2-furfurylamino)-3,5-dinitro-benzoic acid methyl ester Formula: C13H11N3O7 MolecularWeight: 321.24234

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O7/c1-22-13(17)8-5-10(15(18)19)12(11(6-8)16(20)21)14-7-9-3-2-4-23-9/h2-6,14H,7H2,1H3