3-[(3-methyl-2,4,6-trinitro-phenyl)amino]benzoic acid

Systemtic Name: 3-[(3-methyl-2,4,6-trinitro-phenyl)amino]benzoic acid Openeye Name: 3-(3-methyl-2,4,6-trinitro-anilino)benzoic acid CAS Name: 3-(3-methyl-2,4,6-trinitroanilino)benzoic acid IUPAC Name: 3-(3-methyl-2,4,6-trinitroanilino)benzoic acid Traditional Name: 3-(3-methyl-2,4,6-trinitro-anilino)benzoic acid Formula: C14H10N4O8 MolecularWeight: 362.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N4O8/c1-7-10(16(21)22)6-11(17(23)24)12(13(7)18(25)26)15-9-4-2-3-8(5-9)14(19)20/h2-6,15H,1H3,(H,19,20)