3,5-dinitrobenzoic acid; 4-methoxyaniline

Systemtic Name: 3,5-dinitrobenzoic acid; 4-methoxyaniline Openeye Name: 3,5-dinitrobenzoic acid; 4-methoxyaniline CAS Name: 3,5-dinitrobenzoic acid; 4-methoxyaniline IUPAC Name: 3,5-dinitrobenzoic acid; 4-methoxyaniline Traditional Name: 3,5-dinitrobenzoic acid; p-anisidine Formula: C14H13N3O7 MolecularWeight: 335.26892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C7H4N2O6.C7H9NO/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15;1-9-7-4-2-6(8)3-5-7/h1-3H,(H,10,11);2-5H,8H2,1H3