2-[2-[(2,6-dimethylphenyl)amino]-5-nitro-phenyl]ethanoic acid

Systemtic Name: 2-[2-[(2,6-dimethylphenyl)amino]-5-nitro-phenyl]ethanoic acid Openeye Name: 2-[2-(2,6-dimethylanilino)-5-nitro-phenyl]acetic acid CAS Name: 2-[2-(2,6-dimethylanilino)-5-nitrophenyl]acetic acid IUPAC Name: 2-[2-(2,6-dimethylanilino)-5-nitrophenyl]acetic acid Traditional Name: 2-[2-(2,6-dimethylanilino)-5-nitro-phenyl]acetic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=C(C=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=C(C=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H16N2O4/c1-10-4-3-5-11(2)16(10)17-14-7-6-13(18(21)22)8-12(14)9-15(19)20/h3-8,17H,9H2,1-2H3,(H,19,20)