4-[furan-2-ylmethyl(methyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[furan-2-ylmethyl(methyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[2-furylmethyl(methyl)amino]-3-nitro-benzoic acid CAS Name: 4-[2-furanylmethyl(methyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[furan-2-ylmethyl(methyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[2-furfuryl(methyl)amino]-3-nitro-benzoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CO1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

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