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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2C(=O)O

InChI

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