3,5-dinitrobenzoic acid; 4-methylaniline

Systemtic Name: 3,5-dinitrobenzoic acid; 4-methylaniline Openeye Name: 3,5-dinitrobenzoic acid; 4-methylaniline CAS Name: 3,5-dinitrobenzoic acid; 4-methylaniline IUPAC Name: 3,5-dinitrobenzoic acid; 4-methylaniline Traditional Name: 3,5-dinitrobenzoic acid; p-toluidine Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N2O6.C7H9N/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-6-2-4-7(8)5-3-6/h1-3H,(H,10,11);2-5H,8H2,1H3