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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC=CC(=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-].[Na+]

InChI

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