sodium 2-[(2,3-dimethylphenyl)amino]-3-nitro-benzoate

Systemtic Name: sodium 2-[(2,3-dimethylphenyl)amino]-3-nitro-benzoate Openeye Name: sodium 2-(2,3-dimethylanilino)-3-nitro-benzoate CAS Name: sodium 2-(2,3-dimethylanilino)-3-nitrobenzoate IUPAC Name: sodium 2-(2,3-dimethylanilino)-3-nitrobenzoate Traditional Name: sodium 2-(2,3-dimethylanilino)-3-nitro-benzoate Formula: C15H13N2NaO4 MolecularWeight: 308.26449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4.Na/c1-9-5-3-7-12(10(9)2)16-14-11(15(18)19)6-4-8-13(14)17(20)21;/h3-8,16H,1-2H3,(H,18,19);/q;+1/p-1