sodium 2-[2-[(2,6-dimethylphenyl)amino]-5-nitro-phenyl]ethanoate

Systemtic Name: sodium 2-[2-[(2,6-dimethylphenyl)amino]-5-nitro-phenyl]ethanoate Openeye Name: sodium 2-[2-(2,6-dimethylanilino)-5-nitro-phenyl]acetate CAS Name: sodium 2-[2-(2,6-dimethylanilino)-5-nitrophenyl]acetate IUPAC Name: sodium 2-[2-(2,6-dimethylanilino)-5-nitrophenyl]acetate Traditional Name: sodium 2-[2-(2,6-dimethylanilino)-5-nitro-phenyl]acetate Formula: C16H15N2NaO4 MolecularWeight: 322.29107

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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-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4.Na/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);/q;+1/p-1