4-nitrobenzoic acid; 4-nitro-N-pyridin-4-yl-benzamide

Systemtic Name: 4-nitrobenzoic acid; 4-nitro-N-pyridin-4-yl-benzamide Openeye Name: 4-nitrobenzoic acid; 4-nitro-N-(4-pyridyl)benzamide CAS Name: 4-nitrobenzoic acid; 4-nitro-N-pyridin-4-ylbenzamide IUPAC Name: 4-nitrobenzoic acid; 4-nitro-N-pyridin-4-ylbenzamide Traditional Name: 4-nitrobenzoic acid; 4-nitro-N-(4-pyridyl)benzamide Formula: C19H14N4O7 MolecularWeight: 410.33706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)[N+](=O)[O-].C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O3.C7H5NO4/c16-12(14-10-5-7-13-8-6-10)9-1-3-11(4-2-9)15(17)18;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-8H,(H,13,14,16);1-4H,(H,9,10)