2-[(4-methylphenyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(4-methylphenyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-(4-methylanilino)-3,5-dinitro-benzoic acid CAS Name: 2-(4-methylanilino)-3,5-dinitrobenzoic acid IUPAC Name: 2-(4-methylanilino)-3,5-dinitrobenzoic acid Traditional Name: 3,5-dinitro-2-(p-toluidino)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=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

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