5-[[(3-methyl-4-nitro-phenyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[(3-methyl-4-nitro-phenyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[(3-methyl-4-nitro-anilino)methyl]furan-2-carboxylic acid CAS Name: 5-[(3-methyl-4-nitroanilino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(3-methyl-4-nitroanilino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(3-methyl-4-nitro-anilino)methyl]-2-furoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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