methyl 3-methyl-4-[(5-nitrofuran-2-yl)methylamino]benzoate

Systemtic Name: methyl 3-methyl-4-[(5-nitrofuran-2-yl)methylamino]benzoate Openeye Name: methyl 3-methyl-4-[(5-nitro-2-furyl)methylamino]benzoate CAS Name: 3-methyl-4-[(5-nitro-2-furanyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-methyl-4-[(5-nitrofuran-2-yl)methylamino]benzoate Traditional Name: 3-methyl-4-[(5-nitro-2-furyl)methylamino]benzoic acid methyl ester Formula: C14H14N2O5 MolecularWeight: 290.27136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5/c1-9-7-10(14(17)20-2)3-5-12(9)15-8-11-4-6-13(21-11)16(18)19/h3-7,15H,8H2,1-2H3