3-[(2,4-dinitrophenyl)amino]benzoate

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]benzoate Openeye Name: 3-(2,4-dinitroanilino)benzoate CAS Name: 3-(2,4-dinitroanilino)benzoate IUPAC Name: 3-(2,4-dinitroanilino)benzoate Traditional Name: 3-(2,4-dinitroanilino)benzoate Formula: C13H8N3O6- MolecularWeight: 302.21912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O6/c17-13(18)8-2-1-3-9(6-8)14-11-5-4-10(15(19)20)7-12(11)16(21)22/h1-7,14H,(H,17,18)/p-1