5-[[(3-nitrophenyl)amino]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(3-nitrophenyl)amino]methyl]furan-2-carboxylate Openeye Name: 5-[(3-nitroanilino)methyl]furan-2-carboxylate CAS Name: 5-[(3-nitroanilino)methyl]-2-furancarboxylate IUPAC Name: 5-[(3-nitroanilino)methyl]furan-2-carboxylate Traditional Name: 5-[(3-nitroanilino)methyl]-2-furoate Formula: C12H9N2O5- MolecularWeight: 261.21026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O5/c15-12(16)11-5-4-10(19-11)7-13-8-2-1-3-9(6-8)14(17)18/h1-6,13H,7H2,(H,15,16)/p-1