methyl 4-(furan-2-ylmethylamino)-3-nitro-benzoate

Systemtic Name: methyl 4-(furan-2-ylmethylamino)-3-nitro-benzoate Openeye Name: methyl 4-(2-furylmethylamino)-3-nitro-benzoate CAS Name: 4-(2-furanylmethylamino)-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-(furan-2-ylmethylamino)-3-nitrobenzoate Traditional Name: 4-(2-furfurylamino)-3-nitro-benzoic acid methyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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