2-[(2,4-dinitrophenyl)amino]-5-methyl-benzoic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]-5-methyl-benzoic acid Openeye Name: 2-(2,4-dinitroanilino)-5-methyl-benzoic acid CAS Name: 2-(2,4-dinitroanilino)-5-methylbenzoic acid IUPAC Name: 2-(2,4-dinitroanilino)-5-methylbenzoic acid Traditional Name: 2-(2,4-dinitroanilino)-5-methyl-benzoic acid Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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