sodium 3-[(2,4-dinitrophenyl)amino]-4-methyl-benzoate

Systemtic Name: sodium 3-[(2,4-dinitrophenyl)amino]-4-methyl-benzoate Openeye Name: sodium 3-(2,4-dinitroanilino)-4-methyl-benzoate CAS Name: sodium 3-(2,4-dinitroanilino)-4-methylbenzoate IUPAC Name: sodium 3-(2,4-dinitroanilino)-4-methylbenzoate Traditional Name: sodium 3-(2,4-dinitroanilino)-4-methyl-benzoate Formula: C14H10N3NaO6 MolecularWeight: 339.23547

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O6.Na/c1-8-2-3-9(14(18)19)6-12(8)15-11-5-4-10(16(20)21)7-13(11)17(22)23;/h2-7,15H,1H3,(H,18,19);/q;+1/p-1