aniline; 3,6-dinitrophthalic acid

Systemtic Name: aniline; 3,6-dinitrophthalic acid Openeye Name: aniline; 3,6-dinitrophthalic acid CAS Name: aniline; 3,6-dinitrophthalic acid IUPAC Name: aniline; 3,6-dinitrophthalic acid Traditional Name: 3,6-dinitrophthalic acid; phenylamine Formula: C14H11N3O8 MolecularWeight: 349.25244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H4N2O8.C6H7N/c11-7(12)5-3(9(15)16)1-2-4(10(17)18)6(5)8(13)14;7-6-4-2-1-3-5-6/h1-2H,(H,11,12)(H,13,14);1-5H,7H2