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

Systemtic Name: ethyl 4-(furan-2-ylmethylamino)-3,5-dinitro-benzoate Openeye Name: ethyl 4-(2-furylmethylamino)-3,5-dinitro-benzoate CAS Name: 4-(2-furanylmethylamino)-3,5-dinitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-(furan-2-ylmethylamino)-3,5-dinitrobenzoate Traditional Name: 4-(2-furfurylamino)-3,5-dinitro-benzoic acid ethyl ester Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O7/c1-2-23-14(18)9-6-11(16(19)20)13(12(7-9)17(21)22)15-8-10-4-3-5-24-10/h3-7,15H,2,8H2,1H3