5-[[(2-methoxy-5-nitro-phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(2-methoxy-5-nitro-phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-methoxy-5-nitro-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-methoxy-5-nitroanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-methoxy-5-nitroanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-methoxy-5-nitro-anilino)methyl]-2-furoic acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=C(O2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H12N2O6/c1-20-11-4-2-8(15(18)19)6-10(11)14-7-9-3-5-12(21-9)13(16)17/h2-6,14H,7H2,1H3,(H,16,17)