methyl 4-[(5-nitrofuran-2-yl)methylamino]benzoate

Systemtic Name: methyl 4-[(5-nitrofuran-2-yl)methylamino]benzoate Openeye Name: methyl 4-[(5-nitro-2-furyl)methylamino]benzoate CAS Name: 4-[(5-nitro-2-furanyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-nitrofuran-2-yl)methylamino]benzoate Traditional Name: 4-[(5-nitro-2-furyl)methylamino]benzoic acid methyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N2O5/c1-19-13(16)9-2-4-10(5-3-9)14-8-11-6-7-12(20-11)15(17)18/h2-7,14H,8H2,1H3