3-nitro-4-[1-(pyridin-3-ylcarbonylamino)ethyl]benzoic acid

Systemtic Name: 3-nitro-4-[1-(pyridin-3-ylcarbonylamino)ethyl]benzoic acid Openeye Name: 3-nitro-4-[1-(pyridine-3-carbonylamino)ethyl]benzoic acid CAS Name: 3-nitro-4-[1-[[oxo(3-pyridinyl)methyl]amino]ethyl]benzoic acid IUPAC Name: 3-nitro-4-[1-(pyridine-3-carbonylamino)ethyl]benzoic acid Traditional Name: 4-(1-nicotinamidoethyl)-3-nitro-benzoic acid Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5/c1-9(17-14(19)11-3-2-6-16-8-11)12-5-4-10(15(20)21)7-13(12)18(22)23/h2-9H,1H3,(H,17,19)(H,20,21)